#------------------------------------------------------------------------------
#$Date: 2023-07-05 13:06:01 +0300 (Wed, 05 Jul 2023) $
#$Revision: 284914 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/67/7246738.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_7246738
loop_
_publ_author_name
'Liu, Miaochang'
'Xu, Xinyue'
'Chen, Yating'
'Ding, Qiuping'
'Lei, Yunxiang'
'Wu, Huayue'
'Huang, Xiaobo'
_publ_section_title
;
 Crystal structures, dual-state emissions and polymer-based doped
 room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives
;
_journal_issue                   22
_journal_name_full               CrystEngComm
_journal_page_first              3264
_journal_page_last               3270
_journal_paper_doi               10.1039/D3CE00231D
_journal_volume                  25
_journal_year                    2023
_chemical_formula_sum            'C25 H24 N4 O'
_chemical_formula_weight         396.48
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2023-03-03 deposited with the CCDC.	2023-04-26 downloaded from the CCDC.
;
_cell_angle_alpha                104.0820(10)
_cell_angle_beta                 92.9470(10)
_cell_angle_gamma                108.1090(10)
_cell_formula_units_Z            2
_cell_length_a                   7.8031(3)
_cell_length_b                   10.8097(4)
_cell_length_c                   13.6803(5)
_cell_measurement_reflns_used    5549
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      53.755
_cell_measurement_theta_min      5.546
_cell_volume                     1053.66(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0710
_diffrn_reflns_av_unetI/netI     0.0591
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14730
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_min         2.897
_exptl_absorpt_coefficient_mu    0.078
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4683
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.250
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             420
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.090
_refine_diff_density_max         0.199
_refine_diff_density_min         -0.152
_refine_diff_density_rms         0.040
_refine_ls_extinction_coef       0.102(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     274
_refine_ls_number_reflns         3919
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0577
_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)+(0.0709P)²+0.2593P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1540
_refine_ls_wR_factor_ref         0.1689
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3009
_reflns_number_total             3919
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3ce00231d2.cif
_cod_data_source_block           mo_dd18246_0m
_cod_depositor_comments
'Adding full bibliography for 7246730--7246739.cif.'
_cod_database_code               7246738
_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_min   0.984
_shelx_estimated_absorpt_t_max   0.993
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.65912(17) 0.79869(13) 0.35318(9) 0.0503(4) Uani 1 1 d . . . . .
N1 N 0.4517(2) 0.40806(17) 0.13673(13) 0.0554(5) Uani 1 1 d . . . . .
N2 N 0.6997(2) 0.54599(16) 0.25661(12) 0.0509(4) Uani 1 1 d . . . . .
N3 N 0.6387(3) 1.1111(2) 0.38206(17) 0.0792(6) Uani 1 1 d . . . . .
N4 N 1.1472(3) 0.9065(3) 0.86314(17) 0.0985(8) Uani 1 1 d . . . . .
C1 C 0.3108(3) 0.3898(2) 0.06535(15) 0.0577(6) Uani 1 1 d . . . . .
C2 C 0.2697(3) 0.4956(2) 0.04567(15) 0.0603(6) Uani 1 1 d . . . . .
H2 H 0.1825 0.4804 -0.0089 0.072 Uiso 1 1 calc R U . . .
C3 C 0.3590(3) 0.6285(2) 0.10783(15) 0.0536(5) Uani 1 1 d . . . . .
C4 C 0.3193(3) 0.7414(2) 0.09141(16) 0.0607(6) Uani 1 1 d . . . . .
H4 H 0.2375 0.7283 0.0349 0.073 Uiso 1 1 calc R U . . .
C5 C 0.3957(3) 0.8685(2) 0.15470(16) 0.0594(6) Uani 1 1 d . . . . .
C6 C 0.5090(3) 0.8828(2) 0.24512(15) 0.0533(5) Uani 1 1 d . . . . .
C7 C 0.5535(3) 0.7754(2) 0.26273(14) 0.0487(5) Uani 1 1 d . . . . .
C8 C 0.4917(3) 0.6468(2) 0.19053(14) 0.0482(5) Uani 1 1 d . . . . .
C9 C 0.5451(3) 0.5308(2) 0.19314(14) 0.0477(5) Uani 1 1 d . . . . .
C10 C 0.2127(3) 0.2455(2) 0.00595(18) 0.0749(7) Uani 1 1 d . . . . .
H10A H 0.2951 0.2102 -0.0322 0.112 Uiso 1 1 calc R U . . .
H10B H 0.1126 0.2416 -0.0399 0.112 Uiso 1 1 calc R U . . .
H10C H 0.1676 0.1924 0.0520 0.112 Uiso 1 1 calc R U . . .
C11 C 0.3632(4) 0.9899(3) 0.1335(2) 0.0830(8) Uani 1 1 d . . . . .
H11A H 0.4756 1.0508 0.1230 0.124 Uiso 1 1 calc R U . . .
H11B H 0.3176 1.0351 0.1903 0.124 Uiso 1 1 calc R U . . .
H11C H 0.2758 0.9614 0.0735 0.124 Uiso 1 1 calc R U . . .
C12 C 0.5796(3) 1.0100(2) 0.32142(17) 0.0601(6) Uani 1 1 d . . . . .
C13 C 0.8714(3) 0.6453(2) 0.24653(15) 0.0524(5) Uani 1 1 d . . . . .
H13A H 0.8485 0.7256 0.2383 0.063 Uiso 1 1 calc R U . . .
H13B H 0.9179 0.6074 0.1861 0.063 Uiso 1 1 calc R U . . .
C14 C 1.0124(3) 0.6840(2) 0.33838(17) 0.0604(6) Uani 1 1 d . . . . .
H14A H 0.9709 0.7289 0.3981 0.072 Uiso 1 1 calc R U . . .
H14B H 1.1255 0.7465 0.3283 0.072 Uiso 1 1 calc R U . . .
C15 C 1.0449(3) 0.5587(3) 0.3548(2) 0.0721(7) Uani 1 1 d . . . . .
H15A H 1.1025 0.5210 0.2994 0.086 Uiso 1 1 calc R U . . .
H15B H 1.1258 0.5830 0.4177 0.086 Uiso 1 1 calc R U . . .
C16 C 0.8659(3) 0.4540(2) 0.35961(19) 0.0693(7) Uani 1 1 d . . . . .
H16A H 0.8875 0.3720 0.3647 0.083 Uiso 1 1 calc R U . . .
H16B H 0.8165 0.4878 0.4201 0.083 Uiso 1 1 calc R U . . .
C17 C 0.7284(3) 0.4212(2) 0.26668(18) 0.0618(6) Uani 1 1 d . . . . .
H17A H 0.7726 0.3805 0.2063 0.074 Uiso 1 1 calc R U . . .
H17B H 0.6141 0.3569 0.2734 0.074 Uiso 1 1 calc R U . . .
C18 C 0.5569(3) 0.7487(2) 0.42830(15) 0.0610(6) Uani 1 1 d . . . . .
H18A H 0.5005 0.6512 0.4042 0.073 Uiso 1 1 calc R U . . .
H18B H 0.4618 0.7884 0.4408 0.073 Uiso 1 1 calc R U . . .
C19 C 0.6847(3) 0.7857(2) 0.52436(14) 0.0498(5) Uani 1 1 d . . . . .
C20 C 0.8185(3) 0.9112(2) 0.55790(16) 0.0590(6) Uani 1 1 d . . . . .
H20 H 0.8287 0.9742 0.5209 0.071 Uiso 1 1 calc R U . . .
C21 C 0.9370(3) 0.9438(2) 0.64561(16) 0.0628(6) Uani 1 1 d . . . . .
H21 H 1.0278 1.0281 0.6670 0.075 Uiso 1 1 calc R U . . .
C22 C 0.9214(3) 0.8518(2) 0.70167(14) 0.0537(5) Uani 1 1 d . . . . .
C23 C 0.7837(3) 0.7285(2) 0.67103(16) 0.0605(6) Uani 1 1 d . . . . .
H23 H 0.7693 0.6674 0.7100 0.073 Uiso 1 1 calc R U . . .
C24 C 0.6676(3) 0.6961(2) 0.58241(16) 0.0589(6) Uani 1 1 d . . . . .
H24 H 0.5761 0.6122 0.5614 0.071 Uiso 1 1 calc R U . . .
C25 C 1.0470(3) 0.8833(3) 0.79243(17) 0.0696(7) Uani 1 1 d . . . . .
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
_geom_angle_publ_flag
C7 O1 C18 113.42(14) . . ?
C9 N1 C1 119.56(19) . . ?
C9 N2 C13 117.00(15) . . ?
C9 N2 C17 116.86(16) . . ?
C13 N2 C17 110.79(17) . . ?
C2 C1 N1 122.14(19) . . ?
C2 C1 C10 122.7(2) . . ?
N1 C1 C10 115.1(2) . . ?
C1 C2 C3 120.18(19) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 H2 119.9 . . ?
C2 C3 C4 122.33(19) . . ?
C2 C3 C8 117.9(2) . . ?
C4 C3 C8 119.80(19) . . ?
C5 C4 C3 122.84(19) . . ?
C5 C4 H4 118.6 . . ?
C3 C4 H4 118.6 . . ?
C4 C5 C6 116.9(2) . . ?
C4 C5 C11 122.8(2) . . ?
C6 C5 C11 120.3(2) . . ?
C7 C6 C5 121.61(19) . . ?
C7 C6 C12 117.53(18) . . ?
C5 C6 C12 120.85(19) . . ?
O1 C7 C6 117.11(17) . . ?
O1 C7 C8 121.75(17) . . ?
C6 C7 C8 121.14(17) . . ?
C7 C8 C3 116.58(18) . . ?
C7 C8 C9 126.95(17) . . ?
C3 C8 C9 116.45(18) . . ?
N1 C9 N2 117.31(18) . . ?
N1 C9 C8 122.24(18) . . ?
N2 C9 C8 120.45(17) . . ?
C1 C10 H10A 109.5 . . ?
C1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C5 C11 H11A 109.5 . . ?
C5 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C5 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N3 C12 C6 178.8(2) . . ?
N2 C13 C14 111.56(16) . . ?
N2 C13 H13A 109.3 . . ?
C14 C13 H13A 109.3 . . ?
N2 C13 H13B 109.3 . . ?
C14 C13 H13B 109.3 . . ?
H13A C13 H13B 108.0 . . ?
C13 C14 C15 110.05(18) . . ?
C13 C14 H14A 109.6 . . ?
C15 C14 H14A 109.6 . . ?
C13 C14 H14B 109.6 . . ?
C15 C14 H14B 109.6 . . ?
H14A C14 H14B 108.2 . . ?
C16 C15 C14 110.19(19) . . ?
C16 C15 H15A 109.6 . . ?
C14 C15 H15A 109.6 . . ?
C16 C15 H15B 109.6 . . ?
C14 C15 H15B 109.6 . . ?
H15A C15 H15B 108.1 . . ?
C17 C16 C15 111.78(19) . . ?
C17 C16 H16A 109.3 . . ?
C15 C16 H16A 109.3 . . ?
C17 C16 H16B 109.3 . . ?
C15 C16 H16B 109.3 . . ?
H16A C16 H16B 107.9 . . ?
N2 C17 C16 109.52(18) . . ?
N2 C17 H17A 109.8 . . ?
C16 C17 H17A 109.8 . . ?
N2 C17 H17B 109.8 . . ?
C16 C17 H17B 109.8 . . ?
H17A C17 H17B 108.2 . . ?
O1 C18 C19 108.40(16) . . ?
O1 C18 H18A 110.0 . . ?
C19 C18 H18A 110.0 . . ?
O1 C18 H18B 110.0 . . ?
C19 C18 H18B 110.0 . . ?
H18A C18 H18B 108.4 . . ?
C24 C19 C20 118.65(18) . . ?
C24 C19 C18 120.34(18) . . ?
C20 C19 C18 120.99(19) . . ?
C21 C20 C19 120.63(19) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C20 C21 C22 120.1(2) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C21 C22 C23 119.68(19) . . ?
C21 C22 C25 120.7(2) . . ?
C23 C22 C25 119.6(2) . . ?
C24 C23 C22 119.71(19) . . ?
C24 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C19 C24 C23 121.15(19) . . ?
C19 C24 H24 119.4 . . ?
C23 C24 H24 119.4 . . ?
N4 C25 C22 178.8(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 C7 1.374(2) . ?
O1 C18 1.439(2) . ?
N1 C9 1.316(2) . ?
N1 C1 1.365(3) . ?
N2 C9 1.391(2) . ?
N2 C13 1.471(2) . ?
N2 C17 1.472(3) . ?
N3 C12 1.141(3) . ?
N4 C25 1.137(3) . ?
C1 C2 1.362(3) . ?
C1 C10 1.502(3) . ?
C2 C3 1.412(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.414(3) . ?
C3 C8 1.426(3) . ?
C4 C5 1.361(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.430(3) . ?
C5 C11 1.502(3) . ?
C6 C7 1.381(3) . ?
C6 C12 1.433(3) . ?
C7 C8 1.417(3) . ?
C8 C9 1.446(3) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C13 C14 1.510(3) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.518(3) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.516(3) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.515(3) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C19 1.497(3) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C24 1.375(3) . ?
C19 C20 1.381(3) . ?
C20 C21 1.377(3) . ?
C20 H20 0.9300 . ?
C21 C22 1.378(3) . ?
C21 H21 0.9300 . ?
C22 C23 1.378(3) . ?
C22 C25 1.442(3) . ?
C23 C24 1.377(3) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
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
C18 H18B N3 0.97 2.67 3.360(3) 128.7 2_676
C13 H13A O1 0.97 2.37 2.898(3) 113.3 .
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
_geom_torsion_publ_flag
C9 N1 C1 C2 4.2(3) . . . . ?
C9 N1 C1 C10 -179.49(19) . . . . ?
N1 C1 C2 C3 -7.7(3) . . . . ?
C10 C1 C2 C3 176.2(2) . . . . ?
C1 C2 C3 C4 -179.1(2) . . . . ?
C1 C2 C3 C8 0.0(3) . . . . ?
C2 C3 C4 C5 175.5(2) . . . . ?
C8 C3 C4 C5 -3.6(3) . . . . ?
C3 C4 C5 C6 -5.0(3) . . . . ?
C3 C4 C5 C11 175.8(2) . . . . ?
C4 C5 C6 C7 6.2(3) . . . . ?
C11 C5 C6 C7 -174.6(2) . . . . ?
C4 C5 C6 C12 -173.4(2) . . . . ?
C11 C5 C6 C12 5.9(3) . . . . ?
C18 O1 C7 C6 101.5(2) . . . . ?
C18 O1 C7 C8 -78.2(2) . . . . ?
C5 C6 C7 O1 -178.28(17) . . . . ?
C12 C6 C7 O1 1.3(3) . . . . ?
C5 C6 C7 C8 1.4(3) . . . . ?
C12 C6 C7 C8 -179.02(19) . . . . ?
O1 C7 C8 C3 169.85(17) . . . . ?
C6 C7 C8 C3 -9.9(3) . . . . ?
O1 C7 C8 C9 -8.3(3) . . . . ?
C6 C7 C8 C9 171.96(19) . . . . ?
C2 C3 C8 C7 -168.26(19) . . . . ?
C4 C3 C8 C7 10.9(3) . . . . ?
C2 C3 C8 C9 10.1(3) . . . . ?
C4 C3 C8 C9 -170.74(18) . . . . ?
C1 N1 C9 N2 -172.95(17) . . . . ?
C1 N1 C9 C8 7.1(3) . . . . ?
C13 N2 C9 N1 125.53(19) . . . . ?
C17 N2 C9 N1 -9.3(3) . . . . ?
C13 N2 C9 C8 -54.5(2) . . . . ?
C17 N2 C9 C8 170.73(18) . . . . ?
C7 C8 C9 N1 164.06(19) . . . . ?
C3 C8 C9 N1 -14.1(3) . . . . ?
C7 C8 C9 N2 -15.9(3) . . . . ?
C3 C8 C9 N2 165.89(17) . . . . ?
C9 N2 C13 C14 162.20(18) . . . . ?
C17 N2 C13 C14 -60.4(2) . . . . ?
N2 C13 C14 C15 56.9(2) . . . . ?
C13 C14 C15 C16 -53.4(3) . . . . ?
C14 C15 C16 C17 54.5(3) . . . . ?
C9 N2 C17 C16 -163.23(18) . . . . ?
C13 N2 C17 C16 59.3(2) . . . . ?
C15 C16 C17 N2 -57.1(3) . . . . ?
C7 O1 C18 C19 -177.33(17) . . . . ?
O1 C18 C19 C24 -140.7(2) . . . . ?
O1 C18 C19 C20 41.0(3) . . . . ?
C24 C19 C20 C21 2.5(3) . . . . ?
C18 C19 C20 C21 -179.1(2) . . . . ?
C19 C20 C21 C22 -0.9(4) . . . . ?
C20 C21 C22 C23 -1.7(3) . . . . ?
C20 C21 C22 C25 178.6(2) . . . . ?
C21 C22 C23 C24 2.7(3) . . . . ?
C25 C22 C23 C24 -177.6(2) . . . . ?
C20 C19 C24 C23 -1.6(3) . . . . ?
C18 C19 C24 C23 -179.9(2) . . . . ?
C22 C23 C24 C19 -1.0(3) . . . . ?
