##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
(2<i>E</i>,6<i>E</i>)-2,6-Bis(2-fluoro-5-methoxybenzylidene)cyclohexan-1-one
;
_chemical_name_common     ?
_chemical_formula_moiety     'C22 H20 F2 O3'
_chemical_formula_sum     'C22 H20 F2 O3'
_chemical_formula_iupac     'C22 H20 F2 O3'
_chemical_formula_weight     370.38
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     9.2334(10)
_cell_length_b     9.7601(11)
_cell_length_c     21.433(2)
_cell_angle_alpha     90.195(2)
_cell_angle_beta     100.568(2)
_cell_angle_gamma     92.934(2)
_cell_volume     1896.1(4)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     3025
_cell_measurement_theta_min     2.31
_cell_measurement_theta_max     23.13
_cell_measurement_temperature     273(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.10
_exptl_crystal_size_mid     0.10
_exptl_crystal_size_min     0.10
_exptl_crystal_density_diffrn     1.297
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     776
_exptl_absorpt_coefficient_mu     0.098
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2004)'
_exptl_absorpt_correction_T_min     0.9902
_exptl_absorpt_correction_T_max     0.9902
_exptl_special_details
;
;
_diffrn_ambient_temperature     273(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker APEXII CCD area-detector'
_diffrn_measurement_method     '\f and \w scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     10069
_diffrn_reflns_av_R_equivalents     0.1013
_diffrn_reflns_av_sigmaI/netI     0.0851
_diffrn_reflns_theta_min     1.93
_diffrn_reflns_theta_max     25.00
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.994
_diffrn_measured_fraction_theta_full     0.994
_diffrn_reflns_limit_h_min     -10
_diffrn_reflns_limit_h_max     10
_diffrn_reflns_limit_k_min     -11
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -18
_diffrn_reflns_limit_l_max     25
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_diffrn_standards_decay_%     0
_refine_special_details
;
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F^2^, conventional R-factors R are based
 on F, with F set to zero for negative F^2^. The threshold expression of
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F^2^ are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     6634
_reflns_number_gt     3949
_reflns_threshold_expression     I>2\s(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0905
_refine_ls_R_factor_gt     0.0567
_refine_ls_wR_factor_gt     0.1308
_refine_ls_wR_factor_ref     0.1470
_refine_ls_goodness_of_fit_ref     1.001
_refine_ls_restrained_S_all     1.001
_refine_ls_number_reflns     6634
_refine_ls_number_parameters     492
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     noref
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[\s^2^(Fo^2^)+(0.0550P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.015
_refine_ls_shift/su_mean     0.001
_refine_diff_density_max     0.256
_refine_diff_density_min     -0.270
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_extinction_coef     0.0102(12)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^'
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'F' 'F' 0.0171 0.0103
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'APEX2 (Bruker, 2004)'
_computing_cell_refinement     'SAINT (Bruker, 2004)'
_computing_data_reduction     'SAINT (Bruker, 2004)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material     'SHELXTL (Sheldrick, 2008)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    F F1 0.64586(15) -0.51316(13) 0.03944(7) 0.0840(4) Uani d . 1 . .
    O O1 0.59989(17) -0.11281(16) -0.08404(7) 0.0687(4) Uani d . 1 . .
    O O4 0.94423(17) 0.60048(16) -0.09902(8) 0.0769(5) Uani d . 1 . .
    F F2 0.94845(17) 0.08313(16) -0.19582(7) 0.0938(5) Uani d . 1 . .
    C C5 0.7533(2) 0.0813(2) -0.04416(10) 0.0525(5) Uani d . 1 . .
    C C6 0.6674(2) -0.0492(2) -0.03706(10) 0.0521(5) Uani d . 1 . .
    C C7 0.9400(2) 0.4676(2) -0.12065(11) 0.0602(6) Uani d . 1 . .
    C C8 0.5428(2) -0.2508(2) 0.13952(10) 0.0577(6) Uani d . 1 . .
    H H8 0.5357 -0.1562 0.1412 0.069 Uiso calc R 1 . .
    C C9 0.6657(2) -0.1030(2) 0.02818(10) 0.0513(5) Uani d . 1 . .
    C C10 0.8601(2) 0.3605(2) -0.09952(10) 0.0585(6) Uani d . 1 . .
    H H10 0.8033 0.3770 -0.0689 0.070 Uiso calc R 1 . .
    O O3 0.4590(2) -0.25806(18) 0.23530(8) 0.0859(5) Uani d . 1 . .
    C C12 0.9460(3) 0.2116(2) -0.17015(11) 0.0666(6) Uani d . 1 . .
    C C13 0.6103(2) -0.2322(2) 0.03145(10) 0.0561(5) Uani d . 1 . .
    H H13 0.5820 -0.2785 -0.0072 0.067 Uiso calc R 1 . .
    C C14 0.5881(2) -0.3100(2) 0.08760(10) 0.0541(5) Uani d . 1 . .
    C C15 0.7815(2) 0.1087(2) -0.10238(11) 0.0593(6) Uani d . 1 . .
    H H15 0.7441 0.0433 -0.1336 0.071 Uiso calc R 1 . .
    C C16 0.6001(2) -0.4513(2) 0.08892(11) 0.0631(6) Uani d . 1 . .
    C C17 0.8626(2) 0.2266(2) -0.12325(10) 0.0576(6) Uani d . 1 . .
    C C18 0.7318(2) -0.0142(2) 0.08455(10) 0.0603(6) Uani d . 1 . .
    H H18A 0.7671 -0.0722 0.1202 0.072 Uiso calc R 1 . .
    H H18B 0.6561 0.0409 0.0961 0.072 Uiso calc R 1 . .
    C C19 0.5085(2) -0.3297(2) 0.18834(11) 0.0633(6) Uani d . 1 . .
    C C20 0.5209(3) -0.4707(3) 0.18760(12) 0.0742(7) Uani d . 1 . .
    H H20 0.4980 -0.5238 0.2208 0.089 Uiso calc R 1 . .
    C C21 0.8076(3) 0.1678(2) 0.01397(10) 0.0664(6) Uani d . 1 . .
    H H21A 0.7292 0.2237 0.0222 0.080 Uiso calc R 1 . .
    H H21B 0.8891 0.2288 0.0068 0.080 Uiso calc R 1 . .
    C C22 0.5255(3) 0.7126(3) 0.62792(12) 0.0742(7) Uani d . 1 . .
    H H22 0.5377 0.6186 0.6268 0.089 Uiso calc R 1 . .
    C C23 0.3185(3) 0.5673(3) 0.51074(11) 0.0715(7) Uani d . 1 . .
    C C24 0.5675(3) -0.5308(3) 0.13702(13) 0.0727(7) Uani d . 1 . .
    H H24 0.5766 -0.6252 0.1358 0.087 Uiso calc R 1 . .
    C C25 1.0243(3) 0.4454(3) -0.16668(12) 0.0723(7) Uani d . 1 . .
    H H25 1.0792 0.5179 -0.1805 0.087 Uiso calc R 1 . .
    O O5 0.6789(2) 0.7139(2) 0.72684(9) 0.1000(6) Uani d . 1 . .
    C C27 1.0266(3) 0.3162(3) -0.19182(12) 0.0780(7) Uani d . 1 . .
    H H27 1.0820 0.3002 -0.2230 0.094 Uiso calc R 1 . .
    O O2 0.2913(2) 0.5903(2) 0.39992(8) 0.1026(6) Uani d . 1 . .
    C C29 0.8584(2) 0.0796(2) 0.07149(11) 0.0682(6) Uani d . 1 . .
    H H29A 0.9384 0.0251 0.0638 0.082 Uiso calc R 1 . .
    H H29B 0.8948 0.1382 0.1083 0.082 Uiso calc R 1 . .
    C C30 0.5948(3) 0.7889(3) 0.68033(13) 0.0799(7) Uani d . 1 . .
    C C31 0.2607(3) 0.5211(3) 0.44426(12) 0.0769(7) Uani d . 1 . .
    F F4 -0.1739(2) 0.4179(2) 0.28990(8) 0.1210(6) Uani d . 1 . .
    C C33 0.1666(3) 0.3919(3) 0.43095(12) 0.0733(7) Uani d . 1 . .
    C C34 0.3691(3) 0.6978(3) 0.51894(12) 0.0803(7) Uani d . 1 . .
    H H34 0.3588 0.7492 0.4821 0.096 Uiso calc R 1 . .
    C C35 -0.0142(3) 0.2610(3) 0.34497(12) 0.0787(8) Uani d . 1 . .
    C C36 0.0179(3) 0.1235(3) 0.35708(12) 0.0826(8) Uani d . 1 . .
    H H36 0.1025 0.1030 0.3856 0.099 Uiso calc R 1 . .
    C C37 0.8455(3) 0.6307(3) -0.05740(13) 0.0797(7) Uani d . 1 . .
    H H37A 0.7462 0.6047 -0.0775 0.120 Uiso calc R 1 . .
    H H37B 0.8534 0.7272 -0.0478 0.120 Uiso calc R 1 . .
    H H37C 0.8706 0.5804 -0.0188 0.120 Uiso calc R 1 . .
    C C38 0.4382(3) 0.7727(3) 0.57692(13) 0.0776(7) Uani d . 1 . .
    C C39 0.3083(3) 0.4666(3) 0.56284(12) 0.0808(7) Uani d . 1 . .
    H H39A 0.3055 0.5166 0.6018 0.097 Uiso calc R 1 . .
    H H39B 0.3959 0.4139 0.5699 0.097 Uiso calc R 1 . .
    C C40 -0.1396(4) 0.2852(4) 0.30224(14) 0.0935(9) Uani d . 1 . .
    C C41 0.0852(3) 0.3759(3) 0.37287(13) 0.0840(8) Uani d . 1 . .
    H H41 0.0928 0.4493 0.3459 0.101 Uiso calc R 1 . .
    O O6 -0.0522(3) -0.1187(2) 0.33634(11) 0.1141(7) Uani d . 1 . .
    F F3 0.3415(3) 0.97700(19) 0.53269(11) 0.1524(9) Uani d . 1 . .
    C C44 0.1740(3) 0.3700(3) 0.54768(12) 0.0921(9) Uani d . 1 . .
    H H44A 0.0863 0.4217 0.5457 0.111 Uiso calc R 1 . .
    H H44B 0.1757 0.3042 0.5816 0.111 Uiso calc R 1 . .
    C C45 0.1653(3) 0.2928(3) 0.48495(12) 0.0846(8) Uani d . 1 . .
    H H45A 0.2485 0.2349 0.4879 0.102 Uiso calc R 1 . .
    H H45B 0.0756 0.2343 0.4766 0.102 Uiso calc R 1 . .
    C C46 0.5792(4) 0.9275(3) 0.68372(16) 0.0975(9) Uani d . 1 . .
    H H46 0.6264 0.9786 0.7190 0.117 Uiso calc R 1 . .
    C C47 -0.0755(3) 0.0179(4) 0.32694(15) 0.0913(9) Uani d . 1 . .
    C C48 0.3954(4) -0.3343(3) 0.28049(13) 0.1087(10) Uani d . 1 . .
    H H48A 0.3209 -0.3989 0.2589 0.163 Uiso calc R 1 . .
    H H48B 0.3517 -0.2730 0.3060 0.163 Uiso calc R 1 . .
    H H48C 0.4704 -0.3826 0.3072 0.163 Uiso calc R 1 . .
    C C49 0.4926(4) 0.9889(3) 0.6342(2) 0.1229(12) Uani d . 1 . .
    H H49 0.4792 1.0825 0.6358 0.147 Uiso calc R 1 . .
    C C50 -0.2011(4) 0.0478(4) 0.28457(16) 0.1095(11) Uani d . 1 . .
    H H50 -0.2637 -0.0229 0.2643 0.131 Uiso calc R 1 . .
    C C51 -0.2339(4) 0.1829(5) 0.27229(16) 0.1145(11) Uani d . 1 . .
    H H51 -0.3189 0.2037 0.2441 0.137 Uiso calc R 1 . .
    C C52 0.4259(4) 0.9131(3) 0.58215(17) 0.1020(9) Uani d . 1 . .
    C C54 0.0799(4) -0.1549(4) 0.3739(2) 0.1360(14) Uani d . 1 . .
    H H54A 0.1614 -0.1118 0.3581 0.204 Uiso calc R 1 . .
    H H54B 0.0861 -0.2527 0.3726 0.204 Uiso calc R 1 . .
    H H54C 0.0830 -0.1252 0.4169 0.204 Uiso calc R 1 . .
    C C55 0.7647(4) 0.7839(3) 0.77809(15) 0.1175(11) Uani d . 1 . .
    H H55A 0.8265 0.8535 0.7630 0.176 Uiso calc R 1 . .
    H H55B 0.8252 0.7208 0.8039 0.176 Uiso calc R 1 . .
    H H55C 0.7019 0.8258 0.8029 0.176 Uiso calc R 1 . .
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    F1 0.1075(10) 0.0526(8) 0.1018(11) 0.0057(7) 0.0447(9) -0.0015(7)
    O1 0.0905(11) 0.0540(10) 0.0632(10) -0.0054(8) 0.0210(9) -0.0035(8)
    O4 0.0902(11) 0.0533(10) 0.0936(12) -0.0070(8) 0.0364(10) 0.0036(8)
    F2 0.1283(12) 0.0732(10) 0.0938(11) 0.0039(9) 0.0572(9) -0.0062(8)
    C5 0.0541(12) 0.0410(12) 0.0645(14) 0.0075(9) 0.0151(10) 0.0029(10)
    C6 0.0572(12) 0.0434(12) 0.0591(14) 0.0080(10) 0.0183(11) -0.0030(10)
    C7 0.0629(13) 0.0544(15) 0.0648(14) 0.0012(11) 0.0163(11) 0.0092(11)
    C8 0.0638(13) 0.0511(13) 0.0594(14) -0.0038(10) 0.0160(11) 0.0065(11)
    C9 0.0541(11) 0.0437(12) 0.0594(13) 0.0057(9) 0.0180(10) 0.0009(10)
    C10 0.0642(13) 0.0559(14) 0.0602(14) 0.0032(11) 0.0237(11) 0.0092(11)
    O3 0.1237(14) 0.0769(12) 0.0651(11) -0.0099(10) 0.0422(10) 0.0060(9)
    C12 0.0820(15) 0.0563(15) 0.0671(15) 0.0027(12) 0.0283(13) 0.0022(12)
    C13 0.0669(13) 0.0447(13) 0.0606(13) 0.0033(10) 0.0222(11) -0.0028(10)
    C14 0.0573(12) 0.0472(13) 0.0603(14) 0.0004(10) 0.0178(10) 0.0058(10)
    C15 0.0664(13) 0.0504(13) 0.0651(15) 0.0049(10) 0.0222(11) 0.0045(11)
    C16 0.0705(14) 0.0533(14) 0.0684(15) 0.0007(11) 0.0213(12) 0.0024(12)
    C17 0.0617(13) 0.0541(14) 0.0598(14) 0.0024(10) 0.0189(11) 0.0093(11)
    C18 0.0670(13) 0.0535(13) 0.0616(14) 0.0004(11) 0.0158(11) 0.0040(11)
    C19 0.0717(14) 0.0625(16) 0.0565(14) -0.0056(12) 0.0162(11) 0.0068(12)
    C20 0.0850(16) 0.0688(18) 0.0674(16) -0.0083(13) 0.0134(13) 0.0227(13)
    C21 0.0795(15) 0.0544(14) 0.0632(15) -0.0096(11) 0.0108(12) 0.0057(11)
    C22 0.0987(18) 0.0635(16) 0.0681(17) 0.0113(14) 0.0334(14) 0.0018(13)
    C23 0.0922(17) 0.0703(18) 0.0614(16) 0.0245(14) 0.0337(13) 0.0114(12)
    C24 0.0839(16) 0.0494(14) 0.0856(18) 0.0006(12) 0.0185(14) 0.0153(13)
    C25 0.0761(15) 0.0691(17) 0.0772(17) -0.0067(13) 0.0311(13) 0.0148(13)
    O5 0.1470(17) 0.0775(13) 0.0736(13) -0.0049(12) 0.0182(12) 0.0008(11)
    C27 0.0853(17) 0.084(2) 0.0748(17) 0.0039(14) 0.0420(14) 0.0101(14)
    O2 0.1667(18) 0.0881(14) 0.0632(11) 0.0080(13) 0.0474(12) 0.0147(10)
    C29 0.0729(14) 0.0639(15) 0.0650(15) -0.0100(12) 0.0087(12) 0.0079(12)
    C30 0.0995(19) 0.0662(18) 0.0807(19) 0.0013(15) 0.0351(16) 0.0068(15)
    C31 0.1073(19) 0.0776(18) 0.0566(15) 0.0314(15) 0.0355(14) 0.0123(13)
    F4 0.1282(13) 0.1394(17) 0.1007(12) 0.0539(12) 0.0215(10) 0.0341(11)
    C33 0.0932(17) 0.0785(19) 0.0570(16) 0.0277(15) 0.0305(14) 0.0111(13)
    C34 0.1038(19) 0.080(2) 0.0666(17) 0.0287(16) 0.0325(14) 0.0184(14)
    C35 0.0879(18) 0.098(2) 0.0588(15) 0.0259(17) 0.0311(14) 0.0082(15)
    C36 0.0878(18) 0.099(2) 0.0680(17) 0.0251(17) 0.0271(14) 0.0042(16)
    C37 0.0767(15) 0.0667(17) 0.101(2) 0.0059(13) 0.0291(15) -0.0043(14)
    C38 0.0963(18) 0.0647(17) 0.0798(19) 0.0160(14) 0.0339(15) 0.0086(14)
    C39 0.0998(18) 0.089(2) 0.0597(15) 0.0095(16) 0.0302(14) 0.0125(13)
    C40 0.097(2) 0.122(3) 0.0701(19) 0.041(2) 0.0291(17) 0.0216(19)
    C41 0.107(2) 0.088(2) 0.0671(18) 0.0394(17) 0.0333(16) 0.0119(15)
    O6 0.1315(18) 0.0947(18) 0.1233(18) 0.0054(14) 0.0425(15) -0.0041(13)
    F3 0.196(2) 0.0803(13) 0.1656(19) 0.0409(13) -0.0178(16) 0.0237(12)
    C44 0.113(2) 0.104(2) 0.0666(17) 0.0101(18) 0.0360(15) 0.0221(15)
    C45 0.1054(19) 0.088(2) 0.0659(17) 0.0096(15) 0.0288(14) 0.0173(14)
    C46 0.123(2) 0.071(2) 0.099(2) -0.0025(18) 0.0245(19) -0.0082(17)
    C47 0.091(2) 0.110(3) 0.081(2) 0.011(2) 0.0364(17) -0.0005(19)
    C48 0.162(3) 0.104(2) 0.0699(18) -0.014(2) 0.0522(19) 0.0138(16)
    C49 0.146(3) 0.058(2) 0.162(4) 0.013(2) 0.020(3) -0.005(2)
    C50 0.101(2) 0.137(3) 0.093(2) 0.001(2) 0.026(2) -0.006(2)
    C51 0.098(2) 0.158(4) 0.088(2) 0.019(3) 0.0149(19) 0.012(2)
    C52 0.125(2) 0.070(2) 0.111(2) 0.0194(19) 0.016(2) 0.0157(19)
    C54 0.109(3) 0.091(3) 0.218(4) 0.025(2) 0.049(3) 0.038(3)
    C55 0.166(3) 0.104(3) 0.076(2) -0.010(2) 0.009(2) -0.0054(18)
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    F1 C16 . 1.362(3) ?
    O1 C6 . 1.231(2) ?
    O4 C7 . 1.372(3) ?
    O4 C37 . 1.427(3) ?
    F2 C12 . 1.371(3) ?
    C5 C15 . 1.346(3) ?
    C5 C6 . 1.489(3) ?
    C5 C21 . 1.495(3) ?
    C6 C9 . 1.498(3) ?
    C7 C10 . 1.375(3) ?
    C7 C25 . 1.387(3) ?
    C8 C19 . 1.375(3) ?
    C8 C14 . 1.392(3) ?
    C8 H8 . 0.9300 ?
    C9 C13 . 1.343(3) ?
    C9 C18 . 1.501(3) ?
    C10 C17 . 1.404(3) ?
    C10 H10 . 0.9300 ?
    O3 C19 . 1.381(3) ?
    O3 C48 . 1.416(3) ?
    C12 C27 . 1.366(3) ?
    C12 C17 . 1.385(3) ?
    C13 C14 . 1.465(3) ?
    C13 H13 . 0.9300 ?
    C14 C16 . 1.389(3) ?
    C15 C17 . 1.457(3) ?
    C15 H15 . 0.9300 ?
    C16 C24 . 1.361(3) ?
    C18 C29 . 1.515(3) ?
    C18 H18A . 0.9700 ?
    C18 H18B . 0.9700 ?
    C19 C20 . 1.387(3) ?
    C20 C24 . 1.378(3) ?
    C20 H20 . 0.9300 ?
    C21 C29 . 1.522(3) ?
    C21 H21A . 0.9700 ?
    C21 H21B . 0.9700 ?
    C22 C30 . 1.381(3) ?
    C22 C38 . 1.385(3) ?
    C22 H22 . 0.9300 ?
    C23 C34 . 1.334(4) ?
    C23 C31 . 1.486(4) ?
    C23 C39 . 1.502(3) ?
    C24 H24 . 0.9300 ?
    C25 C27 . 1.372(3) ?
    C25 H25 . 0.9300 ?
    O5 C30 . 1.383(3) ?
    O5 C55 . 1.386(3) ?
    C27 H27 . 0.9300 ?
    O2 C31 . 1.234(3) ?
    C29 H29A . 0.9700 ?
    C29 H29B . 0.9700 ?
    C30 C46 . 1.371(4) ?
    C31 C33 . 1.490(4) ?
    F4 C40 . 1.364(4) ?
    C33 C41 . 1.335(3) ?
    C33 C45 . 1.512(3) ?
    C34 C38 . 1.464(4) ?
    C34 H34 . 0.9300 ?
    C35 C40 . 1.370(4) ?
    C35 C36 . 1.404(4) ?
    C35 C41 . 1.465(4) ?
    C36 C47 . 1.387(4) ?
    C36 H36 . 0.9300 ?
    C37 H37A . 0.9600 ?
    C37 H37B . 0.9600 ?
    C37 H37C . 0.9600 ?
    C38 C52 . 1.386(4) ?
    C39 C44 . 1.504(4) ?
    C39 H39A . 0.9700 ?
    C39 H39B . 0.9700 ?
    C40 C51 . 1.368(5) ?
    C41 H41 . 0.9300 ?
    O6 C47 . 1.370(4) ?
    O6 C54 . 1.395(4) ?
    F3 C52 . 1.368(3) ?
    C44 C45 . 1.526(4) ?
    C44 H44A . 0.9700 ?
    C44 H44B . 0.9700 ?
    C45 H45A . 0.9700 ?
    C45 H45B . 0.9700 ?
    C46 C49 . 1.367(4) ?
    C46 H46 . 0.9300 ?
    C47 C50 . 1.381(4) ?
    C48 H48A . 0.9600 ?
    C48 H48B . 0.9600 ?
    C48 H48C . 0.9600 ?
    C49 C52 . 1.366(5) ?
    C49 H49 . 0.9300 ?
    C50 C51 . 1.383(5) ?
    C50 H50 . 0.9300 ?
    C51 H51 . 0.9300 ?
    C54 H54A . 0.9600 ?
    C54 H54B . 0.9600 ?
    C54 H54C . 0.9600 ?
    C55 H55A . 0.9600 ?
    C55 H55B . 0.9600 ?
    C55 H55C . 0.9600 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C7 O4 C37 . . 116.94(17) ?
    C15 C5 C6 . . 116.80(19) ?
    C15 C5 C21 . . 125.17(19) ?
    C6 C5 C21 . . 117.96(19) ?
    O1 C6 C5 . . 120.62(19) ?
    O1 C6 C9 . . 120.33(18) ?
    C5 C6 C9 . . 119.04(19) ?
    O4 C7 C10 . . 124.4(2) ?
    O4 C7 C25 . . 115.3(2) ?
    C10 C7 C25 . . 120.3(2) ?
    C19 C8 C14 . . 121.1(2) ?
    C19 C8 H8 . . 119.4 ?
    C14 C8 H8 . . 119.4 ?
    C13 C9 C6 . . 116.31(19) ?
    C13 C9 C18 . . 124.71(19) ?
    C6 C9 C18 . . 118.90(18) ?
    C7 C10 C17 . . 121.2(2) ?
    C7 C10 H10 . . 119.4 ?
    C17 C10 H10 . . 119.4 ?
    C19 O3 C48 . . 118.0(2) ?
    C27 C12 F2 . . 118.2(2) ?
    C27 C12 C17 . . 124.2(2) ?
    F2 C12 C17 . . 117.6(2) ?
    C9 C13 C14 . . 128.9(2) ?
    C9 C13 H13 . . 115.6 ?
    C14 C13 H13 . . 115.6 ?
    C16 C14 C8 . . 116.4(2) ?
    C16 C14 C13 . . 120.4(2) ?
    C8 C14 C13 . . 122.94(19) ?
    C5 C15 C17 . . 129.0(2) ?
    C5 C15 H15 . . 115.5 ?
    C17 C15 H15 . . 115.5 ?
    C24 C16 F1 . . 118.5(2) ?
    C24 C16 C14 . . 123.2(2) ?
    F1 C16 C14 . . 118.3(2) ?
    C12 C17 C10 . . 115.72(19) ?
    C12 C17 C15 . . 120.5(2) ?
    C10 C17 C15 . . 123.8(2) ?
    C9 C18 C29 . . 112.16(18) ?
    C9 C18 H18A . . 109.2 ?
    C29 C18 H18A . . 109.2 ?
    C9 C18 H18B . . 109.2 ?
    C29 C18 H18B . . 109.2 ?
    H18A C18 H18B . . 107.9 ?
    C8 C19 O3 . . 114.9(2) ?
    C8 C19 C20 . . 120.6(2) ?
    O3 C19 C20 . . 124.4(2) ?
    C24 C20 C19 . . 119.0(2) ?
    C24 C20 H20 . . 120.5 ?
    C19 C20 H20 . . 120.5 ?
    C5 C21 C29 . . 111.31(19) ?
    C5 C21 H21A . . 109.4 ?
    C29 C21 H21A . . 109.4 ?
    C5 C21 H21B . . 109.4 ?
    C29 C21 H21B . . 109.4 ?
    H21A C21 H21B . . 108.0 ?
    C30 C22 C38 . . 121.5(3) ?
    C30 C22 H22 . . 119.3 ?
    C38 C22 H22 . . 119.3 ?
    C34 C23 C31 . . 116.4(2) ?
    C34 C23 C39 . . 125.6(2) ?
    C31 C23 C39 . . 117.9(2) ?
    C16 C24 C20 . . 119.6(2) ?
    C16 C24 H24 . . 120.2 ?
    C20 C24 H24 . . 120.2 ?
    C27 C25 C7 . . 119.9(2) ?
    C27 C25 H25 . . 120.1 ?
    C7 C25 H25 . . 120.1 ?
    C30 O5 C55 . . 118.4(2) ?
    C12 C27 C25 . . 118.7(2) ?
    C12 C27 H27 . . 120.7 ?
    C25 C27 H27 . . 120.7 ?
    C18 C29 C21 . . 110.31(18) ?
    C18 C29 H29A . . 109.6 ?
    C21 C29 H29A . . 109.6 ?
    C18 C29 H29B . . 109.6 ?
    C21 C29 H29B . . 109.6 ?
    H29A C29 H29B . . 108.1 ?
    C46 C30 O5 . . 124.6(3) ?
    C46 C30 C22 . . 121.0(3) ?
    O5 C30 C22 . . 114.4(2) ?
    O2 C31 C23 . . 119.6(3) ?
    O2 C31 C33 . . 119.9(2) ?
    C23 C31 C33 . . 120.4(2) ?
    C41 C33 C31 . . 117.1(2) ?
    C41 C33 C45 . . 125.2(3) ?
    C31 C33 C45 . . 117.6(2) ?
    C23 C34 C38 . . 130.1(2) ?
    C23 C34 H34 . . 115.0 ?
    C38 C34 H34 . . 115.0 ?
    C40 C35 C36 . . 117.3(3) ?
    C40 C35 C41 . . 120.1(3) ?
    C36 C35 C41 . . 122.6(3) ?
    C47 C36 C35 . . 120.6(3) ?
    C47 C36 H36 . . 119.7 ?
    C35 C36 H36 . . 119.7 ?
    O4 C37 H37A . . 109.5 ?
    O4 C37 H37B . . 109.5 ?
    H37A C37 H37B . . 109.5 ?
    O4 C37 H37C . . 109.5 ?
    H37A C37 H37C . . 109.5 ?
    H37B C37 H37C . . 109.5 ?
    C52 C38 C22 . . 115.7(3) ?
    C52 C38 C34 . . 120.7(3) ?
    C22 C38 C34 . . 123.5(2) ?
    C23 C39 C44 . . 112.5(2) ?
    C23 C39 H39A . . 109.1 ?
    C44 C39 H39A . . 109.1 ?
    C23 C39 H39B . . 109.1 ?
    C44 C39 H39B . . 109.1 ?
    H39A C39 H39B . . 107.8 ?
    F4 C40 C51 . . 118.3(3) ?
    F4 C40 C35 . . 118.5(3) ?
    C51 C40 C35 . . 123.2(3) ?
    C33 C41 C35 . . 130.2(3) ?
    C33 C41 H41 . . 114.9 ?
    C35 C41 H41 . . 114.9 ?
    C47 O6 C54 . . 118.4(3) ?
    C39 C44 C45 . . 112.5(2) ?
    C39 C44 H44A . . 109.1 ?
    C45 C44 H44A . . 109.1 ?
    C39 C44 H44B . . 109.1 ?
    C45 C44 H44B . . 109.1 ?
    H44A C44 H44B . . 107.8 ?
    C33 C45 C44 . . 110.8(2) ?
    C33 C45 H45A . . 109.5 ?
    C44 C45 H45A . . 109.5 ?
    C33 C45 H45B . . 109.5 ?
    C44 C45 H45B . . 109.5 ?
    H45A C45 H45B . . 108.1 ?
    C49 C46 C30 . . 118.6(3) ?
    C49 C46 H46 . . 120.7 ?
    C30 C46 H46 . . 120.7 ?
    O6 C47 C50 . . 116.0(3) ?
    O6 C47 C36 . . 124.1(3) ?
    C50 C47 C36 . . 119.9(3) ?
    O3 C48 H48A . . 109.5 ?
    O3 C48 H48B . . 109.5 ?
    H48A C48 H48B . . 109.5 ?
    O3 C48 H48C . . 109.5 ?
    H48A C48 H48C . . 109.5 ?
    H48B C48 H48C . . 109.5 ?
    C46 C49 C52 . . 120.1(3) ?
    C46 C49 H49 . . 119.9 ?
    C52 C49 H49 . . 119.9 ?
    C47 C50 C51 . . 120.1(4) ?
    C47 C50 H50 . . 120.0 ?
    C51 C50 H50 . . 120.0 ?
    C40 C51 C50 . . 119.0(3) ?
    C40 C51 H51 . . 120.5 ?
    C50 C51 H51 . . 120.5 ?
    C49 C52 F3 . . 119.2(3) ?
    C49 C52 C38 . . 123.1(3) ?
    F3 C52 C38 . . 117.7(3) ?
    O6 C54 H54A . . 109.5 ?
    O6 C54 H54B . . 109.5 ?
    H54A C54 H54B . . 109.5 ?
    O6 C54 H54C . . 109.5 ?
    H54A C54 H54C . . 109.5 ?
    H54B C54 H54C . . 109.5 ?
    O5 C55 H55A . . 109.5 ?
    O5 C55 H55B . . 109.5 ?
    H55A C55 H55B . . 109.5 ?
    O5 C55 H55C . . 109.5 ?
    H55A C55 H55C . . 109.5 ?
    H55B C55 H55C . . 109.5 ?
data_global
_journal_date_recd_electronic     2010-11-08
_journal_date_accepted     2010-11-22
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2010
_journal_volume     66
_journal_issue     12
_journal_page_first     o3309
_journal_page_last     o3309
_journal_paper_category     QO
_journal_coeditor_code     NG5065
_publ_contact_author_name     'Guang Liang'
_publ_contact_author_address
;
School of Pharmacy,
Wenzhou Medical College,
Wenzhou,
Zhejiang Province,325035, P. R. China.
;
_publ_contact_author_email     'wzmcliangguang@163.com'
_publ_contact_author_fax     '0086-577-86689983'
_publ_contact_author_phone     '0086-577-86699892'
_publ_section_title
;
(2<i>E</i>,6<i>E</i>)-2,6-Bis(2-fluoro-5-methoxybenzylidene)cyclohexan-1-one
;
loop_
    _publ_author_name
    _publ_author_address
    'Linfeng Chen'
;
School of Pharmacy
Wenzhou Medical College
Wenzhou
Zhejiang Province 325035
People's Republic of China
;
    'Li Zhang'
;
School of Pharmacy
Wenzhou Medical College
Wenzhou
Zhejiang Province 325035
People's Republic of China
;
    'Zhe Wang'
;
School of Pharmacy
Wenzhou Medical College
Wenzhou
Zhejiang Province 325035
People's Republic of China
;
    'Yunjie Wu'
;
School of Pharmacy
Wenzhou Medical College
Wenzhou
Zhejiang Province 325035
People's Republic of China
;
    'Guang Liang'
;
School of Pharmacy
Wenzhou Medical College
Wenzhou
Zhejiang Province 325035
People's Republic of China
;