##############################################################################
###                                                                        ###
###        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/  #
# cif/home.html                                                              #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
                                             
data_global
_audit_creation_method     SHELXL-97
_journal_date_recd_electronic     2010-10-20
_journal_date_accepted     2010-10-20
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2010
_journal_volume     66
_journal_issue     11
_journal_page_first     o2944
_journal_page_last     o2944
_journal_paper_category     QO
_journal_coeditor_code     BT5385
_publ_contact_author
;
     Dr. Seik Weng Ng
     Department of Chemistry
     University of Malaya
     50603 Kuala Lumpur
     Malaysia
;
_publ_contact_author_email     seikweng@um.edu.my
_publ_contact_author_fax     '03 7967 4193'
_publ_contact_author_phone     '03 7967 6778'
_publ_section_title
;
(<i>E</i>)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
from <i>Kaempferia rotunda</i> Val.
;
loop_
    _publ_author_name
    _publ_author_address
    'Sirat, Hasnah Mohd'
;
    Department of Chemistry
    Universiti Teknologi Malaysia
    81310 Skudai
    Malaysia
;
    'Feng, Yau Sui'
;
    Department of Chemistry
    Universiti Teknologi Malaysia
    81310 Skudai
    Malaysia
;
    'Hazni, Hazrina'
;
     Department of Chemistry
     University of Malaya
     50603 Kuala Lumpur
     Malaysia
;
    'Awang, Khalijah'
;
     Department of Chemistry
     University of Malaya
     50603 Kuala Lumpur
     Malaysia
;
    'Ng, Seik Weng'
;
     Department of Chemistry
     University of Malaya
     50603 Kuala Lumpur
     Malaysia
;
_publ_section_synopsis     .
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
(<i>E</i>)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
;
_chemical_name_common     ?
_chemical_formula_moiety     'C18 H18 O5'
_chemical_formula_sum     'C18 H18 O5'
_chemical_formula_iupac     'C18 H18 O5'
_chemical_formula_weight     314.32
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/n'
_symmetry_space_group_name_Hall     '-P 2yn'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, -y-1/2, z-1/2'
_cell_length_a     12.8502(8)
_cell_length_b     8.3226(5)
_cell_length_c     14.1865(9)
_cell_angle_alpha     90.00
_cell_angle_beta     97.7650(10)
_cell_angle_gamma     90.00
_cell_volume     1503.29(16)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     5893
_cell_measurement_theta_min     2.3
_cell_measurement_theta_max     28.2
_cell_measurement_temperature     100(2)
_exptl_crystal_description     'Irregular block'
_exptl_crystal_colour     Yellow
_exptl_crystal_size_max     0.45
_exptl_crystal_size_mid     0.40
_exptl_crystal_size_min     0.05
_exptl_crystal_density_diffrn     1.389
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     664
_exptl_absorpt_coefficient_mu     0.101
_exptl_absorpt_correction_type     none
_diffrn_ambient_temperature     100(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 SMART APEX'
_diffrn_measurement_method     '\w scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     13992
_diffrn_reflns_av_R_equivalents     0.0274
_diffrn_reflns_av_sigmaI/netI     0.0223
_diffrn_reflns_theta_min     2.01
_diffrn_reflns_theta_max     27.49
_diffrn_reflns_theta_full     27.49
_diffrn_measured_fraction_theta_max     1.000
_diffrn_measured_fraction_theta_full     1.000
_diffrn_reflns_limit_h_min     -16
_diffrn_reflns_limit_h_max     15
_diffrn_reflns_limit_k_min     -10
_diffrn_reflns_limit_k_max     10
_diffrn_reflns_limit_l_min     -18
_diffrn_reflns_limit_l_max     18
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_diffrn_standards_decay_%     0
_reflns_number_total     3464
_reflns_number_gt     2989
_reflns_threshold_expression     I>2\s(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0430
_refine_ls_R_factor_gt     0.0359
_refine_ls_wR_factor_gt     0.0947
_refine_ls_wR_factor_ref     0.1010
_refine_ls_goodness_of_fit_ref     1.013
_refine_ls_restrained_S_all     1.014
_refine_ls_number_reflns     3464
_refine_ls_number_parameters     215
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[\s^2^(Fo^2^)+(0.0545P)^2^+0.5468P] 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     0.001
_refine_ls_shift/su_mean     0.001
_refine_diff_density_max     0.320
_refine_diff_density_min     -0.228
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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'
_computing_data_collection     'APEX2 (Bruker, 2009)'
_computing_cell_refinement     'SAINT (Bruker, 2009)'
_computing_data_reduction     'SAINT (Bruker, 2009)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'X-SEED (Barbour, 2001)'
_computing_publication_material     'publCIF (Westrip, 2010)'
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
    O O1 0.71889(6) 0.58291(10) 0.67517(6) 0.02051(19) Uani d D 1 . .
    H H1 0.7343(14) 0.536(2) 0.6242(9) 0.049(5) Uiso d D 1 . .
    O O2 0.44911(7) 0.93407(10) 0.74558(6) 0.0224(2) Uani d . 1 . .
    O O3 0.45229(6) 0.75473(10) 0.42926(5) 0.01955(19) Uani d . 1 . .
    O O4 0.72544(6) 0.50207(10) 0.50890(6) 0.02089(19) Uani d . 1 . .
    O O5 0.61863(7) 0.54719(10) -0.08390(5) 0.01985(19) Uani d . 1 . .
    C C1 0.63266(9) 0.66965(13) 0.64416(8) 0.0166(2) Uani d . 1 . .
    C C2 0.58866(9) 0.75693(13) 0.71251(8) 0.0181(2) Uani d . 1 . .
    H H2 0.6199 0.7560 0.7771 0.022 Uiso calc R 1 . .
    C C3 0.49855(9) 0.84502(13) 0.68446(8) 0.0176(2) Uani d . 1 . .
    C C4 0.45027(9) 0.84618(14) 0.58972(8) 0.0177(2) Uani d . 1 . .
    H H4 0.3869 0.9041 0.5724 0.021 Uiso calc R 1 . .
    C C5 0.49567(9) 0.76227(13) 0.52174(8) 0.0163(2) Uani d . 1 . .
    C C6 0.59130(8) 0.67424(13) 0.54579(7) 0.0160(2) Uani d . 1 . .
    C C7 0.49545(11) 0.93606(16) 0.84345(8) 0.0257(3) Uani d . 1 . .
    H H7A 0.4487 0.9924 0.8815 0.039 Uiso calc R 1 . .
    H H7B 0.5632 0.9917 0.8491 0.039 Uiso calc R 1 . .
    H H7C 0.5061 0.8255 0.8665 0.039 Uiso calc R 1 . .
    C C8 0.35464(9) 0.83628(15) 0.40224(8) 0.0210(2) Uani d . 1 . .
    H H8A 0.3332 0.8236 0.3337 0.032 Uiso calc R 1 . .
    H H8B 0.3632 0.9507 0.4176 0.032 Uiso calc R 1 . .
    H H8C 0.3008 0.7903 0.4370 0.032 Uiso calc R 1 . .
    C C9 0.64968(9) 0.59271(13) 0.47819(8) 0.0170(2) Uani d . 1 . .
    C C10 0.62915(9) 0.61886(14) 0.37466(8) 0.0180(2) Uani d . 1 . .
    H H10 0.5914 0.7110 0.3497 0.022 Uiso calc R 1 . .
    C C11 0.66420(9) 0.51130(14) 0.31598(8) 0.0179(2) Uani d . 1 . .
    H H11 0.6976 0.4182 0.3446 0.022 Uiso calc R 1 . .
    C C12 0.65630(8) 0.52262(14) 0.21240(8) 0.0170(2) Uani d . 1 . .
    C C13 0.67036(9) 0.38511(14) 0.15961(8) 0.0194(2) Uani d . 1 . .
    H H13 0.6880 0.2870 0.1922 0.023 Uiso calc R 1 . .
    C C14 0.65939(9) 0.38694(14) 0.06058(8) 0.0191(2) Uani d . 1 . .
    H H14 0.6686 0.2912 0.0262 0.023 Uiso calc R 1 . .
    C C15 0.63480(8) 0.53098(14) 0.01267(8) 0.0166(2) Uani d . 1 . .
    C C16 0.62576(9) 0.67210(14) 0.06464(8) 0.0192(2) Uani d . 1 . .
    H H16 0.6127 0.7714 0.0322 0.023 Uiso calc R 1 . .
    C C17 0.63562(9) 0.66808(14) 0.16271(8) 0.0183(2) Uani d . 1 . .
    H H17 0.6284 0.7645 0.1971 0.022 Uiso calc R 1 . .
    C C18 0.63148(10) 0.40641(15) -0.13935(8) 0.0219(2) Uani d . 1 . .
    H H18A 0.6141 0.4319 -0.2071 0.033 Uiso calc R 1 . .
    H H18B 0.5847 0.3215 -0.1222 0.033 Uiso calc R 1 . .
    H H18C 0.7045 0.3696 -0.1267 0.033 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
    O1 0.0192(4) 0.0242(4) 0.0175(4) 0.0058(3) 0.0000(3) 0.0029(3)
    O2 0.0276(5) 0.0221(4) 0.0174(4) 0.0066(3) 0.0027(3) -0.0003(3)
    O3 0.0168(4) 0.0253(4) 0.0156(4) 0.0041(3) -0.0011(3) 0.0016(3)
    O4 0.0204(4) 0.0229(4) 0.0191(4) 0.0052(3) 0.0017(3) 0.0024(3)
    O5 0.0246(4) 0.0197(4) 0.0156(4) 0.0016(3) 0.0042(3) 0.0000(3)
    C1 0.0150(5) 0.0154(5) 0.0188(5) -0.0015(4) 0.0007(4) 0.0041(4)
    C2 0.0200(6) 0.0183(5) 0.0152(5) -0.0012(4) -0.0001(4) 0.0025(4)
    C3 0.0200(5) 0.0147(5) 0.0185(5) -0.0016(4) 0.0044(4) 0.0006(4)
    C4 0.0166(5) 0.0172(5) 0.0191(5) 0.0017(4) 0.0018(4) 0.0037(4)
    C5 0.0168(5) 0.0159(5) 0.0156(5) -0.0025(4) 0.0002(4) 0.0032(4)
    C6 0.0160(5) 0.0157(5) 0.0160(5) -0.0013(4) 0.0016(4) 0.0023(4)
    C7 0.0348(7) 0.0229(6) 0.0188(6) 0.0044(5) 0.0013(5) -0.0027(5)
    C8 0.0170(5) 0.0242(6) 0.0207(5) 0.0033(4) -0.0019(4) 0.0034(4)
    C9 0.0161(5) 0.0156(5) 0.0189(5) -0.0026(4) 0.0013(4) 0.0021(4)
    C10 0.0162(5) 0.0194(5) 0.0184(5) 0.0002(4) 0.0023(4) 0.0038(4)
    C11 0.0173(5) 0.0180(5) 0.0181(5) -0.0008(4) 0.0011(4) 0.0031(4)
    C12 0.0142(5) 0.0198(6) 0.0171(5) 0.0005(4) 0.0022(4) 0.0012(4)
    C13 0.0199(6) 0.0167(5) 0.0211(6) 0.0025(4) 0.0011(4) 0.0030(4)
    C14 0.0187(5) 0.0179(6) 0.0206(5) 0.0021(4) 0.0024(4) -0.0014(4)
    C15 0.0131(5) 0.0210(6) 0.0160(5) -0.0005(4) 0.0030(4) 0.0003(4)
    C16 0.0207(6) 0.0167(5) 0.0205(5) 0.0021(4) 0.0039(4) 0.0027(4)
    C17 0.0191(5) 0.0169(6) 0.0190(5) 0.0008(4) 0.0035(4) -0.0005(4)
    C18 0.0253(6) 0.0220(6) 0.0193(5) -0.0011(5) 0.0060(4) -0.0033(4)
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
    O1 C1 . 1.3457(13) ?
    O1 H1 . 0.867(9) ?
    O2 C3 . 1.3615(14) ?
    O2 C7 . 1.4349(14) ?
    O3 C5 . 1.3558(13) ?
    O3 C8 . 1.4326(13) ?
    O4 C9 . 1.2618(14) ?
    O5 C15 . 1.3644(13) ?
    O5 C18 . 1.4331(14) ?
    C1 C2 . 1.3913(16) ?
    C1 C6 . 1.4250(15) ?
    C2 C3 . 1.3828(16) ?
    C2 H2 . 0.9500 ?
    C3 C4 . 1.4023(15) ?
    C4 C5 . 1.3820(16) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.4318(15) ?
    C6 C9 . 1.4619(15) ?
    C7 H7A . 0.9800 ?
    C7 H7B . 0.9800 ?
    C7 H7C . 0.9800 ?
    C8 H8A . 0.9800 ?
    C8 H8B . 0.9800 ?
    C8 H8C . 0.9800 ?
    C9 C10 . 1.4728(15) ?
    C10 C11 . 1.3411(16) ?
    C10 H10 . 0.9500 ?
    C11 C12 . 1.4623(15) ?
    C11 H11 . 0.9500 ?
    C12 C13 . 1.3927(16) ?
    C12 C17 . 1.4079(16) ?
    C13 C14 . 1.3929(16) ?
    C13 H13 . 0.9500 ?
    C14 C15 . 1.3932(16) ?
    C14 H14 . 0.9500 ?
    C15 C16 . 1.3999(16) ?
    C16 C17 . 1.3804(16) ?
    C16 H16 . 0.9500 ?
    C17 H17 . 0.9500 ?
    C18 H18A . 0.9800 ?
    C18 H18B . 0.9800 ?
    C18 H18C . 0.9800 ?
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
    C1 O1 H1 . . 103.7(12) ?
    C3 O2 C7 . . 117.01(9) ?
    C5 O3 C8 . . 117.88(9) ?
    C15 O5 C18 . . 117.20(9) ?
    O1 C1 C2 . . 116.51(10) ?
    O1 C1 C6 . . 121.08(10) ?
    C2 C1 C6 . . 122.39(10) ?
    C3 C2 C1 . . 118.66(10) ?
    C3 C2 H2 . . 120.7 ?
    C1 C2 H2 . . 120.7 ?
    O2 C3 C2 . . 123.37(10) ?
    O2 C3 C4 . . 115.00(10) ?
    C2 C3 C4 . . 121.63(10) ?
    C5 C4 C3 . . 119.44(10) ?
    C5 C4 H4 . . 120.3 ?
    C3 C4 H4 . . 120.3 ?
    O3 C5 C4 . . 122.78(10) ?
    O3 C5 C6 . . 115.74(10) ?
    C4 C5 C6 . . 121.46(10) ?
    C1 C6 C5 . . 116.20(10) ?
    C1 C6 C9 . . 118.26(10) ?
    C5 C6 C9 . . 125.53(10) ?
    O2 C7 H7A . . 109.5 ?
    O2 C7 H7B . . 109.5 ?
    H7A C7 H7B . . 109.5 ?
    O2 C7 H7C . . 109.5 ?
    H7A C7 H7C . . 109.5 ?
    H7B C7 H7C . . 109.5 ?
    O3 C8 H8A . . 109.5 ?
    O3 C8 H8B . . 109.5 ?
    H8A C8 H8B . . 109.5 ?
    O3 C8 H8C . . 109.5 ?
    H8A C8 H8C . . 109.5 ?
    H8B C8 H8C . . 109.5 ?
    O4 C9 C6 . . 119.43(10) ?
    O4 C9 C10 . . 117.29(10) ?
    C6 C9 C10 . . 123.16(10) ?
    C11 C10 C9 . . 119.37(10) ?
    C11 C10 H10 . . 120.3 ?
    C9 C10 H10 . . 120.3 ?
    C10 C11 C12 . . 126.67(10) ?
    C10 C11 H11 . . 116.7 ?
    C12 C11 H11 . . 116.7 ?
    C13 C12 C17 . . 117.82(10) ?
    C13 C12 C11 . . 119.40(10) ?
    C17 C12 C11 . . 122.77(10) ?
    C12 C13 C14 . . 122.04(10) ?
    C12 C13 H13 . . 119.0 ?
    C14 C13 H13 . . 119.0 ?
    C15 C14 C13 . . 119.13(10) ?
    C15 C14 H14 . . 120.4 ?
    C13 C14 H14 . . 120.4 ?
    O5 C15 C14 . . 124.66(10) ?
    O5 C15 C16 . . 115.70(10) ?
    C14 C15 C16 . . 119.64(10) ?
    C17 C16 C15 . . 120.50(10) ?
    C17 C16 H16 . . 119.7 ?
    C15 C16 H16 . . 119.7 ?
    C16 C17 C12 . . 120.72(10) ?
    C16 C17 H17 . . 119.6 ?
    C12 C17 H17 . . 119.6 ?
    O5 C18 H18A . . 109.5 ?
    O5 C18 H18B . . 109.5 ?
    H18A C18 H18B . . 109.5 ?
    O5 C18 H18C . . 109.5 ?
    H18A C18 H18C . . 109.5 ?
    H18B C18 H18C . . 109.5 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O1 C1 C2 C3 . . . . -178.53(10) ?
    C6 C1 C2 C3 . . . . 3.23(17) ?
    C7 O2 C3 C2 . . . . 0.85(16) ?
    C7 O2 C3 C4 . . . . 179.78(10) ?
    C1 C2 C3 O2 . . . . 179.81(10) ?
    C1 C2 C3 C4 . . . . 0.96(17) ?
    O2 C3 C4 C5 . . . . 178.59(10) ?
    C2 C3 C4 C5 . . . . -2.46(17) ?
    C8 O3 C5 C4 . . . . -0.74(16) ?
    C8 O3 C5 C6 . . . . 177.90(10) ?
    C3 C4 C5 O3 . . . . 178.40(10) ?
    C3 C4 C5 C6 . . . . -0.17(17) ?
    O1 C1 C6 C5 . . . . 176.25(10) ?
    C2 C1 C6 C5 . . . . -5.59(16) ?
    O1 C1 C6 C9 . . . . -4.83(16) ?
    C2 C1 C6 C9 . . . . 173.33(10) ?
    O3 C5 C6 C1 . . . . -174.67(9) ?
    C4 C5 C6 C1 . . . . 4.00(16) ?
    O3 C5 C6 C9 . . . . 6.50(16) ?
    C4 C5 C6 C9 . . . . -174.84(11) ?
    C1 C6 C9 O4 . . . . 10.22(16) ?
    C5 C6 C9 O4 . . . . -170.97(10) ?
    C1 C6 C9 C10 . . . . -165.63(10) ?
    C5 C6 C9 C10 . . . . 13.18(17) ?
    O4 C9 C10 C11 . . . . 22.06(16) ?
    C6 C9 C10 C11 . . . . -162.02(11) ?
    C9 C10 C11 C12 . . . . -176.23(10) ?
    C10 C11 C12 C13 . . . . -162.90(11) ?
    C10 C11 C12 C17 . . . . 17.58(18) ?
    C17 C12 C13 C14 . . . . -3.23(17) ?
    C11 C12 C13 C14 . . . . 177.23(10) ?
    C12 C13 C14 C15 . . . . 0.76(18) ?
    C18 O5 C15 C14 . . . . -2.19(16) ?
    C18 O5 C15 C16 . . . . 177.52(10) ?
    C13 C14 C15 O5 . . . . -177.73(10) ?
    C13 C14 C15 C16 . . . . 2.57(17) ?
    O5 C15 C16 C17 . . . . 176.90(10) ?
    C14 C15 C16 C17 . . . . -3.38(17) ?
    C15 C16 C17 C12 . . . . 0.84(17) ?
    C13 C12 C17 C16 . . . . 2.41(17) ?
    C11 C12 C17 C16 . . . . -178.06(11) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    O1 H1 O4 . 0.870(10)
                       1.650(10)
                               2.4650(10)
                                        156(2) yes