##############################################################################
###                                                                        ###
###        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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#                                                                            #
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data_global
_audit_creation_method     ?
_journal_date_recd_electronic     2010-01-06
_journal_date_accepted     2010-02-01
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2010
_journal_volume     66
_journal_issue      3
_journal_page_first     o523
_journal_page_last     o523
_journal_paper_category     QO
_journal_coeditor_code     RK2189
_publ_contact_author_name     'Arici, Cengiz'
_publ_contact_author_address
;
Hacettepe University
Department of Engineering Physics
Beytepe 06800
Ankara
Turkey
;
_publ_contact_author_email     'carici.xray@gmail.com'
_publ_contact_author_Fax     '90 312 299 20 37'
_publ_contact_author_phone     '90 312 297 71 57'
_publ_section_title
;
1-(3-Mesityl-3-methylcyclobutyl)-2-phenoxyethanone
;
loop_
    _publ_author_name
    _publ_author_address
    'Koca, Murat'
;
Department of Chemistry
Faculty of Arts and Science
Adiyaman University
02040 Ad\?iyaman
Turkey
;
    'Kirilmi\,s, Cumhur'
;
Department of Chemistry
Faculty of Arts and Science
Adiyaman University
02040 Ad\?iyaman
Turkey
;
    'Arici, Cengiz'
;
Department of Engineering Physics
Hacettepe University
Beytepe 06800
Ankara
Turkey
;
data_I
_audit_creation_method     SHELXL97
_chemical_name_systematic
;
1-(3-Mesityl-3-methylcyclobutyl)-2-phenoxyethanone
;
_chemical_name_common     ?
_chemical_formula_moiety     'C22 H26 O2'
_chemical_formula_sum     'C22 H26 O2'
_chemical_formula_iupac     'C22 H26 O2'
_chemical_formula_weight     322.43
_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     8.5884(12)
_cell_length_b     10.1725(11)
_cell_length_c     11.1018(12)
_cell_angle_alpha     82.364(4)
_cell_angle_beta     68.170(3)
_cell_angle_gamma     86.235(2)
_cell_volume     892.24(19)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     149
_cell_measurement_theta_min     6.00
_cell_measurement_theta_max     20.00
_cell_measurement_temperature     100(2)
_exptl_crystal_description     'block'
_exptl_crystal_colour     'colourless'
_exptl_crystal_size_max     0.42
_exptl_crystal_size_mid     0.33
_exptl_crystal_size_min     0.24
_exptl_crystal_density_diffrn     1.200
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     348
_exptl_absorpt_coefficient_mu     0.075
_exptl_absorpt_correction_type     'multi-scan'
_exptl_absorpt_process_details     '(<i>SADABS</i>; Bruker--Nonius, 2002)'
_exptl_absorpt_correction_T_min     0.969
_exptl_absorpt_correction_T_max     0.982
_exptl_special_details
;
;
_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     'Nonius KappaCCD'
_diffrn_measurement_method
;
\w-scans with 2.00\% and 40 sec per frame
;
_diffrn_detector_area_resol_mean     9
_diffrn_reflns_number     23641
_diffrn_reflns_av_R_equivalents     0.0544
_diffrn_reflns_av_sigmaI/netI     0.0360
_diffrn_reflns_theta_min     3.00
_diffrn_reflns_theta_max     27.10
_diffrn_reflns_theta_full     27.10
_diffrn_measured_fraction_theta_max     0.998
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -13
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -14
_diffrn_reflns_limit_l_max     14
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
 Refinement of <i>F</i>^2^ against ALL reflections. The weighted
 <i>R</i>-factor <i>wR</i> and goodness of fit <i>S</i> are based on
 <i>F</i>^2^, conventional <i>R</i>-factors <i>R</i> are based on <i>F</i>,
 with <i>F</i> set to zero for negative <i>F</i>^2^. The threshold expression
 of <i>F</i>^2^ > \s(<i>F</i>^2^) is used only for calculating
 <i>R</i>-factors(gt) <i>etc</i>. and is not relevant to the choice of
 reflections for refinement. <i>R</i>-factors based on <i>F</i>^2^ are
 statistically about twice as large as those based on <i>F</i>, and
 <i>R</i>-factors based on ALL data will be even larger.
;
_reflns_number_total     3921
_reflns_number_gt     2968
_reflns_threshold_expression     >2\s(I)
_refine_ls_structure_factor_coef     'Fsqd'
_refine_ls_matrix_type     'full'
_refine_ls_R_factor_all     0.0696
_refine_ls_R_factor_gt     0.0466
_refine_ls_wR_factor_gt     0.1178
_refine_ls_wR_factor_ref     0.1291
_refine_ls_goodness_of_fit_ref     1.067
_refine_ls_restrained_S_all     1.067
_refine_ls_number_reflns     3921
_refine_ls_number_parameters     217
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     'calc'
_refine_ls_weighting_details
         'calc w=1/[\s^2^(Fo^2^)+(0.0644P)^2^+0.2801P] 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     0.000
_refine_diff_density_max     0.317
_refine_diff_density_min     -0.249
_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     '<i>COLLECT</i> (Bruker--Nonius, 2002)'
_computing_cell_refinement     '<i>EVALCCD</i> (Bruker--Nonius, 2002)'
_computing_data_reduction     '<i>EVALCCD</i> (Bruker--Nonius, 2002)'
_computing_structure_solution     '<i>SHELXS97</i> (Sheldrick, 2008)'
_computing_structure_refinement     '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_molecular_graphics     '<i>PLATON</i> (Spek, 2009)'
_computing_publication_material     '<i>SHELXL97</i> (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
    C C1 0.66157(19) 0.63782(15) 0.69324(15) 0.0191(3) Uani d . 1 . .
    C C2 0.6658(2) 0.62422(15) 0.81884(15) 0.0212(3) Uani d . 1 . .
    H H2 0.5724 0.5864 0.8899 0.025 Uiso calc R 1 . .
    C C3 0.8017(2) 0.66400(15) 0.84382(15) 0.0216(3) Uani d . 1 . .
    C C4 0.9374(2) 0.71600(15) 0.73790(15) 0.0202(3) Uani d . 1 . .
    H H4 1.0328 0.7416 0.7525 0.024 Uiso calc R 1 . .
    C C5 0.93938(19) 0.73229(15) 0.61020(15) 0.0181(3) Uani d . 1 . .
    C C6 0.79712(19) 0.69657(14) 0.58680(15) 0.0168(3) Uani d . 1 . .
    C C7 0.79622(18) 0.71572(15) 0.44807(15) 0.0175(3) Uani d . 1 . .
    C C8 0.8730(2) 0.59338(16) 0.37804(16) 0.0238(4) Uani d . 1 . .
    H H8A 0.8710 0.6069 0.2895 0.036 Uiso calc R 1 . .
    H H8B 0.8079 0.5150 0.4267 0.036 Uiso calc R 1 . .
    H H8C 0.9892 0.5802 0.3731 0.036 Uiso calc R 1 . .
    C C9 0.86927(19) 0.84742(16) 0.36088(15) 0.0190(3) Uani d . 1 . .
    H H9A 0.8701 0.9204 0.4114 0.023 Uiso calc R 1 . .
    H H9B 0.9806 0.8360 0.2918 0.023 Uiso calc R 1 . .
    C C10 0.62618(19) 0.75748(15) 0.42989(15) 0.0189(3) Uani d . 1 . .
    H H10B 0.5741 0.6854 0.4069 0.023 Uiso calc R 1 . .
    H H10A 0.5440 0.7998 0.5038 0.023 Uiso calc R 1 . .
    C C11 0.72371(19) 0.85766(15) 0.31115(15) 0.0181(3) Uani d . 1 . .
    H H11 0.7558 0.8179 0.2273 0.022 Uiso calc R 1 . .
    C C12 0.5091(2) 0.58448(17) 0.67897(17) 0.0255(4) Uani d . 1 . .
    H H12A 0.5442 0.5430 0.5980 0.038 Uiso calc R 1 . .
    H H12B 0.4298 0.6575 0.6761 0.038 Uiso calc R 1 . .
    H H12C 0.4549 0.5185 0.7536 0.038 Uiso calc R 1 . .
    C C13 0.8009(2) 0.64947(18) 0.98136(16) 0.0283(4) Uani d . 1 . .
    H H13A 0.7400 0.5695 1.0308 0.042 Uiso calc R 1 . .
    H H13B 0.7456 0.7273 1.0240 0.042 Uiso calc R 1 . .
    H H13C 0.9166 0.6421 0.9784 0.042 Uiso calc R 1 . .
    C C14 1.09987(19) 0.78228(18) 0.50263(16) 0.0233(4) Uani d . 1 . .
    H H14A 1.1277 0.7295 0.4294 0.035 Uiso calc R 1 . .
    H H14B 1.1912 0.7741 0.5361 0.035 Uiso calc R 1 . .
    H H14C 1.0846 0.8756 0.4727 0.035 Uiso calc R 1 . .
    C C15 0.63834(19) 0.98988(16) 0.30363(15) 0.0196(3) Uani d . 1 . .
    C C16 0.4891(2) 1.00148(15) 0.26088(16) 0.0217(3) Uani d . 1 . .
    H H16A 0.3888 1.0322 0.3314 0.026 Uiso calc R 1 . .
    H H16B 0.5121 1.0673 0.1824 0.026 Uiso calc R 1 . .
    C C17 0.35862(19) 0.87125(16) 0.16126(15) 0.0193(3) Uani d . 1 . .
    C C18 0.2842(2) 0.98135(16) 0.11452(16) 0.0231(4) Uani d . 1 . .
    H H18 0.2968 1.0674 0.1337 0.028 Uiso calc R 1 . .
    C C19 0.1910(2) 0.96324(19) 0.03910(18) 0.0302(4) Uani d . 1 . .
    H H19 0.1404 1.0381 0.0062 0.036 Uiso calc R 1 . .
    C C20 0.1703(2) 0.8385(2) 0.01108(17) 0.0304(4) Uani d . 1 . .
    H H20 0.1088 0.8280 -0.0425 0.036 Uiso calc R 1 . .
    C C21 0.2405(2) 0.72904(18) 0.06224(18) 0.0290(4) Uani d . 1 . .
    H H21 0.2240 0.6427 0.0459 0.035 Uiso calc R 1 . .
    C C22 0.3340(2) 0.74507(17) 0.13673(17) 0.0253(4) Uani d . 1 . .
    H H22 0.3819 0.6697 0.1714 0.030 Uiso calc R 1 . .
    O O1 0.68046(15) 1.08915(12) 0.33319(12) 0.0270(3) Uani d . 1 . .
    O O2 0.45853(14) 0.87559(11) 0.23207(11) 0.0235(3) Uani d . 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
    C1 0.0195(8) 0.0117(7) 0.0253(8) -0.0002(6) -0.0076(6) -0.0015(6)
    C2 0.0221(8) 0.0149(8) 0.0224(8) -0.0030(6) -0.0038(7) 0.0004(6)
    C3 0.0289(9) 0.0143(7) 0.0217(8) -0.0001(6) -0.0088(7) -0.0040(6)
    C4 0.0214(8) 0.0183(8) 0.0239(8) -0.0011(6) -0.0104(7) -0.0058(6)
    C5 0.0179(7) 0.0156(7) 0.0211(8) 0.0010(6) -0.0066(6) -0.0056(6)
    C6 0.0179(7) 0.0129(7) 0.0203(7) 0.0013(6) -0.0069(6) -0.0047(6)
    C7 0.0159(7) 0.0175(8) 0.0198(7) -0.0008(6) -0.0066(6) -0.0043(6)
    C8 0.0258(8) 0.0229(8) 0.0263(8) 0.0048(7) -0.0122(7) -0.0099(7)
    C9 0.0168(7) 0.0216(8) 0.0177(7) -0.0018(6) -0.0047(6) -0.0035(6)
    C10 0.0174(7) 0.0177(8) 0.0237(8) -0.0006(6) -0.0094(6) -0.0039(6)
    C11 0.0187(7) 0.0190(8) 0.0182(7) -0.0002(6) -0.0078(6) -0.0048(6)
    C12 0.0228(8) 0.0225(9) 0.0302(9) -0.0085(7) -0.0104(7) 0.0061(7)
    C13 0.0371(10) 0.0267(9) 0.0210(8) -0.0066(8) -0.0103(7) -0.0013(7)
    C14 0.0171(8) 0.0321(9) 0.0218(8) -0.0037(7) -0.0072(7) -0.0049(7)
    C15 0.0203(8) 0.0197(8) 0.0174(7) -0.0029(6) -0.0048(6) -0.0026(6)
    C16 0.0219(8) 0.0167(8) 0.0282(8) 0.0012(6) -0.0099(7) -0.0070(7)
    C17 0.0148(7) 0.0211(8) 0.0218(8) 0.0001(6) -0.0062(6) -0.0036(6)
    C18 0.0218(8) 0.0190(8) 0.0277(8) -0.0038(6) -0.0093(7) 0.0018(7)
    C19 0.0283(9) 0.0314(10) 0.0328(9) -0.0060(7) -0.0169(8) 0.0095(8)
    C20 0.0268(9) 0.0434(11) 0.0240(9) -0.0084(8) -0.0121(7) -0.0023(8)
    C21 0.0248(9) 0.0301(9) 0.0351(10) 0.0000(7) -0.0106(8) -0.0154(8)
    C22 0.0215(8) 0.0204(8) 0.0365(9) 0.0040(7) -0.0124(7) -0.0081(7)
    O1 0.0317(7) 0.0214(6) 0.0334(7) -0.0009(5) -0.0166(6) -0.0082(5)
    O2 0.0276(6) 0.0151(6) 0.0350(6) 0.0000(5) -0.0196(5) -0.0036(5)
_geom_special_details
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix. The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry. An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
    C1 C2 . 1.397(2) ?
    C1 C6 . 1.410(2) ?
    C1 C12 . 1.518(2) ?
    C2 C3 . 1.392(2) ?
    C2 H2 . 0.9500 ?
    C3 C4 . 1.385(2) ?
    C3 C13 . 1.512(2) ?
    C4 C5 . 1.399(2) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.418(2) ?
    C5 C14 . 1.514(2) ?
    C6 C7 . 1.529(2) ?
    C7 C8 . 1.535(2) ?
    C7 C9 . 1.562(2) ?
    C7 C10 . 1.571(2) ?
    C8 H8A . 0.9800 ?
    C8 H8B . 0.9800 ?
    C8 H8C . 0.9800 ?
    C9 C11 . 1.536(2) ?
    C9 H9A . 0.9900 ?
    C9 H9B . 0.9900 ?
    C10 C11 . 1.553(2) ?
    C10 H10B . 0.9900 ?
    C10 H10A . 0.9900 ?
    C11 C15 . 1.497(2) ?
    C11 H11 . 1.0000 ?
    C12 H12A . 0.9800 ?
    C12 H12B . 0.9800 ?
    C12 H12C . 0.9800 ?
    C13 H13A . 0.9800 ?
    C13 H13B . 0.9800 ?
    C13 H13C . 0.9800 ?
    C14 H14A . 0.9800 ?
    C14 H14B . 0.9800 ?
    C14 H14C . 0.9800 ?
    C15 O1 . 1.2177(19) ?
    C15 C16 . 1.516(2) ?
    C16 O2 . 1.4237(18) ?
    C16 H16A . 0.9900 ?
    C16 H16B . 0.9900 ?
    C17 O2 . 1.3682(18) ?
    C17 C18 . 1.389(2) ?
    C17 C22 . 1.392(2) ?
    C18 C19 . 1.391(2) ?
    C18 H18 . 0.9500 ?
    C19 C20 . 1.383(3) ?
    C19 H19 . 0.9500 ?
    C20 C21 . 1.387(3) ?
    C20 H20 . 0.9500 ?
    C21 C22 . 1.380(2) ?
    C21 H21 . 0.9500 ?
    C22 H22 . 0.9500 ?
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
    C2 C1 C6 . . 119.74(14) ?
    C2 C1 C12 . . 116.96(14) ?
    C6 C1 C12 . . 123.28(14) ?
    C3 C2 C1 . . 122.43(15) ?
    C3 C2 H2 . . 118.8 ?
    C1 C2 H2 . . 118.8 ?
    C4 C3 C2 . . 117.38(14) ?
    C4 C3 C13 . . 121.65(15) ?
    C2 C3 C13 . . 120.97(15) ?
    C3 C4 C5 . . 122.47(15) ?
    C3 C4 H4 . . 118.8 ?
    C5 C4 H4 . . 118.8 ?
    C4 C5 C6 . . 119.57(14) ?
    C4 C5 C14 . . 116.94(14) ?
    C6 C5 C14 . . 123.43(13) ?
    C1 C6 C5 . . 118.27(14) ?
    C1 C6 C7 . . 121.45(13) ?
    C5 C6 C7 . . 120.21(13) ?
    C6 C7 C8 . . 110.39(12) ?
    C6 C7 C9 . . 117.38(12) ?
    C8 C7 C9 . . 111.83(13) ?
    C6 C7 C10 . . 118.07(12) ?
    C8 C7 C10 . . 110.26(12) ?
    C9 C7 C10 . . 87.08(11) ?
    C7 C8 H8A . . 109.5 ?
    C7 C8 H8B . . 109.5 ?
    H8A C8 H8B . . 109.5 ?
    C7 C8 H8C . . 109.5 ?
    H8A C8 H8C . . 109.5 ?
    H8B C8 H8C . . 109.5 ?
    C11 C9 C7 . . 89.84(11) ?
    C11 C9 H9A . . 113.7 ?
    C7 C9 H9A . . 113.7 ?
    C11 C9 H9B . . 113.7 ?
    C7 C9 H9B . . 113.7 ?
    H9A C9 H9B . . 110.9 ?
    C11 C10 C7 . . 88.89(11) ?
    C11 C10 H10B . . 113.8 ?
    C7 C10 H10B . . 113.8 ?
    C11 C10 H10A . . 113.8 ?
    C7 C10 H10A . . 113.8 ?
    H10B C10 H10A . . 111.1 ?
    C15 C11 C9 . . 117.93(13) ?
    C15 C11 C10 . . 114.89(13) ?
    C9 C11 C10 . . 88.64(11) ?
    C15 C11 H11 . . 111.2 ?
    C9 C11 H11 . . 111.2 ?
    C10 C11 H11 . . 111.2 ?
    C1 C12 H12A . . 109.5 ?
    C1 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 109.5 ?
    C1 C12 H12C . . 109.5 ?
    H12A C12 H12C . . 109.5 ?
    H12B C12 H12C . . 109.5 ?
    C3 C13 H13A . . 109.5 ?
    C3 C13 H13B . . 109.5 ?
    H13A C13 H13B . . 109.5 ?
    C3 C13 H13C . . 109.5 ?
    H13A C13 H13C . . 109.5 ?
    H13B C13 H13C . . 109.5 ?
    C5 C14 H14A . . 109.5 ?
    C5 C14 H14B . . 109.5 ?
    H14A C14 H14B . . 109.5 ?
    C5 C14 H14C . . 109.5 ?
    H14A C14 H14C . . 109.5 ?
    H14B C14 H14C . . 109.5 ?
    O1 C15 C11 . . 123.12(14) ?
    O1 C15 C16 . . 117.80(14) ?
    C11 C15 C16 . . 119.06(13) ?
    O2 C16 C15 . . 109.41(13) ?
    O2 C16 H16A . . 109.8 ?
    C15 C16 H16A . . 109.8 ?
    O2 C16 H16B . . 109.8 ?
    C15 C16 H16B . . 109.8 ?
    H16A C16 H16B . . 108.2 ?
    O2 C17 C18 . . 124.76(14) ?
    O2 C17 C22 . . 115.14(14) ?
    C18 C17 C22 . . 120.10(15) ?
    C17 C18 C19 . . 118.77(16) ?
    C17 C18 H18 . . 120.6 ?
    C19 C18 H18 . . 120.6 ?
    C20 C19 C18 . . 121.37(17) ?
    C20 C19 H19 . . 119.3 ?
    C18 C19 H19 . . 119.3 ?
    C19 C20 C21 . . 119.17(16) ?
    C19 C20 H20 . . 120.4 ?
    C21 C20 H20 . . 120.4 ?
    C22 C21 C20 . . 120.27(16) ?
    C22 C21 H21 . . 119.9 ?
    C20 C21 H21 . . 119.9 ?
    C21 C22 C17 . . 120.25(16) ?
    C21 C22 H22 . . 119.9 ?
    C17 C22 H22 . . 119.9 ?
    C17 O2 C16 . . 118.20(12) ?
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
    C10 H10A O1 2_676 0.99 2.44 3.419(3) 172(2) yes