#------------------------------------------------------------------------------
#$Date: 2016-08-26 16:25:18 +0300 (Fri, 26 Aug 2016) $
#$Revision: 186023 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/11/91/7119168.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7119168
loop_
_publ_author_name
'Haiyan Yu'
'Wang Ren'
'Hongguang Lu'
'Yanan Liang'
'Qiusheng Wang'
_publ_section_title
;
 Synthesis and piezochromic luminescence study of a coumarin hydrozone
 compound
;
_journal_name_full               Chem.Commun.
_journal_page_first              7387
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C22 H23 N3 O4'
_chemical_formula_sum            'C22 H23 N3 O4'
_chemical_formula_weight         393.43
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2015-05-18
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2016-04-08 deposited with the CCDC.
2016-05-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.304(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.9129(4)
_cell_length_b                   7.8194(3)
_cell_length_c                   22.4280(8)
_cell_measurement_reflns_used    9369
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.06
_cell_measurement_theta_min      2.76
_cell_volume                     1898.30(12)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'Bruker APEXII v2014.9-0 (Bruker, 2014)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Bruker PHOTON-100 area detector'
_diffrn_detector_area_resol_mean 10.4
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_unetI/netI     0.0104
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            137852
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        30.050
_diffrn_reflns_theta_max         30.073
_diffrn_reflns_theta_min         2.195
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_exptl_absorpt_coefficient_mu    0.096
_exptl_absorpt_correction_T_max  0.2650
_exptl_absorpt_correction_T_min  0.2359
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/4 (Bruker,2014/4) was used for absorption correction.
wR2(int) was 0.1043 before and 0.0534 after correction.
The Ratio of minimum to maximum transmission is 0.8902.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.377
_exptl_crystal_description       block
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.507
_refine_diff_density_min         -0.237
_refine_diff_density_rms         0.048
_refine_ls_extinction_coef       0.0047(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     292
_refine_ls_number_reflns         5563
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0385
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0561P)²+0.8191P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1031
_refine_ls_wR_factor_ref         0.1069
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5018
_reflns_number_total             5563
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6cc02937j2.cif
_cod_data_source_block           wqs01_1m
_cod_database_code               7119168
_shelxl_version_number           2014/6
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.983
_shelx_estimated_absorpt_t_min   0.977
_olex2_refinement_description
;
1.a Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B), C13(H13A,H13B)
1.b Aromatic/amide H refined with riding coordinates:
 C3(H3A), C5(H5), C6(H6), C8(H8), C10(H10), C17(H17), C18(H18), C20(H20),
 C21(H21)
1.c Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C14(H14A,H14B,H14C), C22(H22A,H22B,H22C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.56092(7) -0.00353(9) 0.41270(3) 0.01985(15) Uani 1 1 d . . . . .
O2 O 0.51664(6) 0.09475(9) 0.32035(3) 0.01452(14) Uani 1 1 d . . . . .
O3 O 0.26704(8) 0.59944(10) 0.56242(3) 0.02440(17) Uani 1 1 d . . . . .
O4 O 0.42015(7) 0.39741(10) 0.83640(3) 0.01901(15) Uani 1 1 d . . . . .
N1 N 0.38737(8) 0.22326(11) 0.11381(3) 0.01621(16) Uani 1 1 d . . . . .
N2 N 0.37048(7) 0.37014(10) 0.48963(3) 0.01506(16) Uani 1 1 d . . . . .
N3 N 0.37848(8) 0.35732(11) 0.55132(3) 0.01622(16) Uani 1 1 d . . . . .
H3 H 0.4086(13) 0.2585(19) 0.5683(6) 0.025(3) Uiso 1 1 d . . . . .
C1 C 0.50583(9) 0.10473(12) 0.38073(4) 0.01418(17) Uani 1 1 d . . . . .
C2 C 0.44743(8) 0.19591(11) 0.27831(4) 0.01197(16) Uani 1 1 d . . . . .
C3 C 0.46006(8) 0.16547(12) 0.21876(4) 0.01295(16) Uani 1 1 d . . . . .
H3A H 0.5195 0.0856 0.2084 0.024(3) Uiso 1 1 calc R . . . .
C4 C 0.38354(8) 0.25452(11) 0.17325(4) 0.01300(16) Uani 1 1 d . . . . .
C5 C 0.29936(9) 0.37767(12) 0.19173(4) 0.01620(18) Uani 1 1 d . . . . .
H5 H 0.2474 0.4399 0.1622 0.026(3) Uiso 1 1 calc R . . . .
C6 C 0.29240(9) 0.40745(13) 0.25142(4) 0.01649(18) Uani 1 1 d . . . . .
H6 H 0.2368 0.4920 0.2623 0.024(3) Uiso 1 1 calc R . . . .
C7 C 0.36525(8) 0.31633(11) 0.29706(4) 0.01302(16) Uani 1 1 d . . . . .
C8 C 0.36123(8) 0.33974(12) 0.35939(4) 0.01425(17) Uani 1 1 d . . . . .
H8 H 0.3096 0.4261 0.3725 0.024(3) Uiso 1 1 calc R . . . .
C9 C 0.43028(8) 0.24039(12) 0.40101(4) 0.01346(17) Uani 1 1 d . . . . .
C10 C 0.43085(9) 0.25289(12) 0.46585(4) 0.01535(17) Uani 1 1 d . . . . .
H10 H 0.4771 0.1722 0.4912 0.027(4) Uiso 1 1 calc R . . . .
C11 C 0.48386(9) 0.11871(13) 0.09227(4) 0.01757(18) Uani 1 1 d . . . . .
H11A H 0.5589 0.1239 0.1221 0.017(3) Uiso 1 1 calc R . . . .
H11B H 0.5049 0.1680 0.0542 0.028(4) Uiso 1 1 calc R . . . .
C12 C 0.44734(10) -0.06762(14) 0.08167(5) 0.0242(2) Uani 1 1 d . . . . .
H12A H 0.3727 -0.0741 0.0524 0.035(4) Uiso 1 1 calc GR . . . .
H12B H 0.4310 -0.1195 0.1196 0.034(4) Uiso 1 1 calc GR . . . .
H12C H 0.5148 -0.1293 0.0661 0.035(4) Uiso 1 1 calc GR . . . .
C13 C 0.29491(9) 0.29362(14) 0.06708(4) 0.0203(2) Uani 1 1 d . . . . .
H13A H 0.2148 0.3027 0.0832 0.021(3) Uiso 1 1 calc R . . . .
H13B H 0.2839 0.2136 0.0326 0.029(4) Uiso 1 1 calc R . . . .
C14 C 0.33002(11) 0.46866(16) 0.04498(5) 0.0278(2) Uani 1 1 d . . . . .
H14A H 0.2665 0.5075 0.0130 0.046(5) Uiso 1 1 calc GR . . . .
H14B H 0.4097 0.4610 0.0293 0.034(4) Uiso 1 1 calc GR . . . .
H14C H 0.3365 0.5503 0.0784 0.037(4) Uiso 1 1 calc GR . . . .
C15 C 0.32644(8) 0.47726(12) 0.58446(4) 0.01453(17) Uani 1 1 d . . . . .
C16 C 0.34984(8) 0.44903(11) 0.65081(4) 0.01298(16) Uani 1 1 d . . . . .
C17 C 0.44467(8) 0.34422(12) 0.67863(4) 0.01499(17) Uani 1 1 d . . . . .
H17 H 0.4953 0.2826 0.6547 0.024(3) Uiso 1 1 calc R . . . .
C18 C 0.46523(9) 0.32962(12) 0.74046(4) 0.01567(17) Uani 1 1 d . . . . .
H18 H 0.5299 0.2585 0.7588 0.020(3) Uiso 1 1 calc R . . . .
C19 C 0.39102(8) 0.41926(12) 0.77611(4) 0.01417(17) Uani 1 1 d . . . . .
C20 C 0.29551(9) 0.52312(12) 0.74938(4) 0.01589(17) Uani 1 1 d . . . . .
H20 H 0.2440 0.5829 0.7734 0.020(3) Uiso 1 1 calc R . . . .
C21 C 0.27677(8) 0.53791(12) 0.68701(4) 0.01520(17) Uani 1 1 d . . . . .
H21 H 0.2128 0.6102 0.6687 0.020(3) Uiso 1 1 calc R . . . .
C22 C 0.33949(10) 0.47243(15) 0.87453(4) 0.0238(2) Uani 1 1 d . . . . .
H22A H 0.2549 0.4325 0.8624 0.031(4) Uiso 1 1 calc GR . . . .
H22B H 0.3423 0.5973 0.8711 0.034(4) Uiso 1 1 calc GR . . . .
H22C H 0.3659 0.4389 0.9163 0.043(5) Uiso 1 1 calc GR . . . .
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'
N N 0.0061 0.0033 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C1 O2 C2 122.13(7) . .
C19 O4 C22 117.37(8) . .
C4 N1 C11 122.46(8) . .
C4 N1 C13 121.91(8) . .
C11 N1 C13 115.63(7) . .
C10 N2 N3 113.24(8) . .
N2 N3 H3 117.2(9) . .
C15 N3 N2 121.27(8) . .
C15 N3 H3 120.8(9) . .
O1 C1 O2 116.25(8) . .
O1 C1 C9 125.53(8) . .
O2 C1 C9 118.22(8) . .
O2 C2 C3 116.67(8) . .
O2 C2 C7 119.73(7) . .
C3 C2 C7 123.53(8) . .
C2 C3 H3A 120.3 . .
C2 C3 C4 119.35(8) . .
C4 C3 H3A 120.3 . .
N1 C4 C3 121.92(8) . .
N1 C4 C5 120.42(8) . .
C3 C4 C5 117.65(8) . .
C4 C5 H5 119.5 . .
C6 C5 C4 121.05(8) . .
C6 C5 H5 119.5 . .
C5 C6 H6 119.1 . .
C5 C6 C7 121.88(8) . .
C7 C6 H6 119.1 . .
C2 C7 C6 116.48(8) . .
C2 C7 C8 118.97(8) . .
C6 C7 C8 124.55(8) . .
C7 C8 H8 119.4 . .
C9 C8 C7 121.18(8) . .
C9 C8 H8 119.4 . .
C1 C9 C10 115.55(8) . .
C8 C9 C1 119.19(8) . .
C8 C9 C10 125.19(8) . .
N2 C10 C9 121.70(8) . .
N2 C10 H10 119.2 . .
C9 C10 H10 119.2 . .
N1 C11 H11A 108.8 . .
N1 C11 H11B 108.8 . .
N1 C11 C12 113.68(8) . .
H11A C11 H11B 107.7 . .
C12 C11 H11A 108.8 . .
C12 C11 H11B 108.8 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12B 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N1 C13 H13A 109.0 . .
N1 C13 H13B 109.0 . .
N1 C13 C14 113.05(9) . .
H13A C13 H13B 107.8 . .
C14 C13 H13A 109.0 . .
C14 C13 H13B 109.0 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14B 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
O3 C15 N3 123.54(8) . .
O3 C15 C16 122.19(8) . .
N3 C15 C16 114.26(8) . .
C17 C16 C15 123.53(8) . .
C21 C16 C15 117.94(8) . .
C21 C16 C17 118.47(8) . .
C16 C17 H17 119.6 . .
C18 C17 C16 120.75(8) . .
C18 C17 H17 119.6 . .
C17 C18 H18 120.0 . .
C17 C18 C19 120.09(8) . .
C19 C18 H18 120.0 . .
O4 C19 C18 115.27(8) . .
O4 C19 C20 124.60(8) . .
C20 C19 C18 120.12(8) . .
C19 C20 H20 120.4 . .
C21 C20 C19 119.10(8) . .
C21 C20 H20 120.4 . .
C16 C21 H21 119.3 . .
C20 C21 C16 121.46(8) . .
C20 C21 H21 119.3 . .
O4 C22 H22A 109.5 . .
O4 C22 H22B 109.5 . .
O4 C22 H22C 109.5 . .
H22A C22 H22B 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 C1 1.2176(11) .
O2 C1 1.3765(10) .
O2 C2 1.3797(10) .
O3 C15 1.2231(12) .
O4 C19 1.3598(10) .
O4 C22 1.4290(12) .
N1 C4 1.3611(11) .
N1 C11 1.4628(12) .
N1 C13 1.4663(12) .
N2 N3 1.3789(10) .
N2 C10 1.2840(12) .
N3 H3 0.904(15) .
N3 C15 1.3645(12) .
C1 C9 1.4516(12) .
C2 C3 1.3807(11) .
C2 C7 1.4013(12) .
C3 H3A 0.9500 .
C3 C4 1.4168(12) .
C4 C5 1.4282(12) .
C5 H5 0.9500 .
C5 C6 1.3703(12) .
C6 H6 0.9500 .
C6 C7 1.4074(12) .
C7 C8 1.4161(11) .
C8 H8 0.9500 .
C8 C9 1.3652(12) .
C9 C10 1.4566(12) .
C10 H10 0.9500 .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C11 C12 1.5213(15) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C13 C14 1.5213(16) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C16 1.4939(12) .
C16 C17 1.4028(12) .
C16 C21 1.3938(12) .
C17 H17 0.9500 .
C17 C18 1.3811(12) .
C18 H18 0.9500 .
C18 C19 1.3968(13) .
C19 C20 1.3952(13) .
C20 H20 0.9500 .
C20 C21 1.3924(12) .
C21 H21 0.9500 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N3 H3 O1 0.904(15) 2.057(15) 2.9336(11) 162.9(13) 3_656
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O1 C1 C9 C8 -171.75(9) . . . .
O1 C1 C9 C10 5.40(14) . . . .
O2 C1 C9 C8 7.79(13) . . . .
O2 C1 C9 C10 -175.06(8) . . . .
O2 C2 C3 C4 174.47(8) . . . .
O2 C2 C7 C6 -176.25(8) . . . .
O2 C2 C7 C8 4.29(13) . . . .
O3 C15 C16 C17 -160.51(10) . . . .
O3 C15 C16 C21 16.52(14) . . . .
O4 C19 C20 C21 178.52(9) . . . .
N1 C4 C5 C6 178.40(9) . . . .
N2 N3 C15 O3 2.24(15) . . . .
N2 N3 C15 C16 -176.74(8) . . . .
N3 N2 C10 C9 177.70(8) . . . .
N3 C15 C16 C17 18.48(13) . . . .
N3 C15 C16 C21 -164.48(9) . . . .
C1 O2 C2 C3 -175.47(8) . . . .
C1 O2 C2 C7 1.61(12) . . . .
C1 C9 C10 N2 178.14(9) . . . .
C2 O2 C1 O1 171.97(8) . . . .
C2 O2 C1 C9 -7.61(12) . . . .
C2 C3 C4 N1 -176.51(8) . . . .
C2 C3 C4 C5 2.35(13) . . . .
C2 C7 C8 C9 -3.93(14) . . . .
C3 C2 C7 C6 0.63(13) . . . .
C3 C2 C7 C8 -178.84(8) . . . .
C3 C4 C5 C6 -0.48(14) . . . .
C4 N1 C11 C12 95.16(11) . . . .
C4 N1 C13 C14 89.34(11) . . . .
C4 C5 C6 C7 -1.41(15) . . . .
C5 C6 C7 C2 1.36(14) . . . .
C5 C6 C7 C8 -179.21(9) . . . .
C6 C7 C8 C9 176.65(9) . . . .
C7 C2 C3 C4 -2.49(13) . . . .
C7 C8 C9 C1 -2.10(14) . . . .
C7 C8 C9 C10 -178.96(9) . . . .
C8 C9 C10 N2 -4.90(15) . . . .
C10 N2 N3 C15 175.88(9) . . . .
C11 N1 C4 C3 -10.75(14) . . . .
C11 N1 C4 C5 170.42(9) . . . .
C11 N1 C13 C14 -90.29(10) . . . .
C13 N1 C4 C3 169.65(9) . . . .
C13 N1 C4 C5 -9.18(14) . . . .
C13 N1 C11 C12 -85.21(10) . . . .
C15 C16 C17 C18 176.94(9) . . . .
C15 C16 C21 C20 -177.79(8) . . . .
C16 C17 C18 C19 0.22(14) . . . .
C17 C16 C21 C20 -0.61(14) . . . .
C17 C18 C19 O4 -179.23(8) . . . .
C17 C18 C19 C20 0.32(14) . . . .
C18 C19 C20 C21 -0.99(14) . . . .
C19 C20 C21 C16 1.14(14) . . . .
C21 C16 C17 C18 -0.08(14) . . . .
C22 O4 C19 C18 -173.86(9) . . . .
C22 O4 C19 C20 6.61(14) . . . .
