#------------------------------------------------------------------------------
#$Date: 2020-10-06 14:14:24 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257976 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/10/7241074.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_7241074
loop_
_publ_author_name
'Wang, Zhichao'
'Li, Hanjie'
'Peng, Zhixing'
'Wang, Zaibin'
'Wang, Yanguang'
'Lu, Ping'
_publ_section_title
;
 Preparation and photophysical properties of quinazoline-based
 fluorophores
;
_journal_issue                   51
_journal_name_full               'RSC Advances'
_journal_page_first              30297
_journal_page_last               30303
_journal_paper_doi               10.1039/D0RA05701K
_journal_volume                  10
_journal_year                    2020
_chemical_formula_moiety         'C36 H25 F6 N3 O2'
_chemical_formula_sum            'C36 H25 F6 N3 O2'
_chemical_formula_weight         645.59
_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
_atom_sites_solution_primary     dual
_audit_creation_date             2019-05-24
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-10-28 deposited with the CCDC.	2020-08-10 downloaded from the CCDC.
;
_cell_angle_alpha                105.688(17)
_cell_angle_beta                 97.397(17)
_cell_angle_gamma                94.639(12)
_cell_formula_units_Z            2
_cell_length_a                   9.488(3)
_cell_length_b                   9.778(3)
_cell_length_c                   16.834(6)
_cell_measurement_reflns_used    9899
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      26.38
_cell_measurement_theta_min      2.55
_cell_volume                     1480.1(9)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      170.0
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.991
_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  0.0218
_diffrn_reflns_av_unetI/netI     0.0257
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            17781
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.386
_diffrn_reflns_theta_min         2.180
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.117
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.7212
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1180 before and 0.0368 after correction.
The Ratio of minimum to maximum transmission is 0.9675.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.449
_exptl_crystal_description       block
_exptl_crystal_F_000             664
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.267
_exptl_crystal_size_min          0.152
_refine_diff_density_max         0.525
_refine_diff_density_min         -0.484
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         6012
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0510
_refine_ls_R_factor_gt           0.0467
_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)+(0.0586P)²+0.9220P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1205
_refine_ls_wR_factor_ref         0.1248
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5404
_reflns_number_total             6012
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ra05701k2.cif
_cod_data_source_block           190523_wzc_4345_0m
_cod_depositor_comments
'Adding full bibliography for 7241071--7241074.cif.'
_cod_original_cell_volume        1480.2(9)
_cod_database_code               7241074
_shelx_shelxl_version_number     2016/6
_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   0.951
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C3(H3), C5(H5), C11(H11), C12(H12), C13(H13), C14(H14), C16(H16),
 C17(H17), C19(H19), C20(H20), C22(H22), C23(H23), C25(H25), C26(H26), C29(H29),
  C30(H30), C32(H32), C33(H33)
2.b Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C34(H34A,H34B,H34C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
F1 F -0.29342(15) 0.80819(15) 1.08229(9) 0.0708(5) Uani 1 1 d . . . . .
F2 F -0.36209(13) 0.58907(13) 1.02750(9) 0.0568(4) Uani 1 1 d . . . . .
F3 F -0.38926(16) 0.7318(2) 0.95396(10) 0.0865(6) Uani 1 1 d . . . . .
F4 F 0.20624(15) 0.95889(15) 1.10524(9) 0.0705(5) Uani 1 1 d . . . . .
F5 F 0.32900(15) 0.78728(16) 1.07601(10) 0.0703(4) Uani 1 1 d . . . . .
F6 F 0.28976(18) 0.90639(18) 0.99019(8) 0.0794(5) Uani 1 1 d . . . . .
O1 O 0.57933(14) 0.07713(14) 0.24543(7) 0.0372(3) Uani 1 1 d . . . . .
O2 O 1.10037(13) 0.76660(13) 0.74070(8) 0.0377(3) Uani 1 1 d . . . . .
N1 N 0.63923(14) 0.34275(14) 0.58835(8) 0.0239(3) Uani 1 1 d . . . . .
N2 N 0.12229(13) 0.40130(14) 0.79591(8) 0.0229(3) Uani 1 1 d . . . . .
N3 N -0.12186(13) 0.31524(14) 0.79560(8) 0.0233(3) Uani 1 1 d . . . . .
C1 C -0.14621(17) 0.56132(16) 0.92115(9) 0.0249(3) Uani 1 1 d . . . . .
H1 H -0.229410 0.496169 0.894610 0.030 Uiso 1 1 calc R . . . .
C2 C -0.15569(18) 0.68092(17) 0.98640(10) 0.0272(3) Uani 1 1 d . . . . .
C3 C -0.03528(18) 0.77671(17) 1.02676(10) 0.0285(3) Uani 1 1 d . . . . .
H3 H -0.042176 0.858061 1.071559 0.034 Uiso 1 1 calc R . . . .
C4 C 0.09555(18) 0.75136(17) 1.00038(10) 0.0280(3) Uani 1 1 d . . . . .
C5 C 0.10631(17) 0.63297(17) 0.93452(9) 0.0251(3) Uani 1 1 d . . . . .
H5 H 0.196269 0.617677 0.916752 0.030 Uiso 1 1 calc R . . . .
C6 C -0.01501(16) 0.53660(16) 0.89450(9) 0.0230(3) Uani 1 1 d . . . . .
C7 C -0.00576(16) 0.40821(16) 0.82445(9) 0.0218(3) Uani 1 1 d . . . . .
C8 C 0.13206(16) 0.29098(16) 0.73195(9) 0.0219(3) Uani 1 1 d . . . . .
C9 C 0.01773(16) 0.17619(16) 0.69858(9) 0.0220(3) Uani 1 1 d . . . . .
C10 C -0.11062(16) 0.19564(16) 0.73335(9) 0.0221(3) Uani 1 1 d . . . . .
C11 C -0.22896(17) 0.08741(17) 0.70451(10) 0.0262(3) Uani 1 1 d . . . . .
H11 H -0.315975 0.101019 0.726240 0.031 Uiso 1 1 calc R . . . .
C12 C -0.21781(17) -0.03688(17) 0.64525(10) 0.0286(3) Uani 1 1 d . . . . .
H12 H -0.297466 -0.109162 0.625960 0.034 Uiso 1 1 calc R . . . .
C13 C -0.08876(18) -0.05860(17) 0.61252(10) 0.0288(3) Uani 1 1 d . . . . .
H13 H -0.081731 -0.146344 0.572518 0.035 Uiso 1 1 calc R . . . .
C14 C 0.02611(17) 0.04560(17) 0.63794(10) 0.0265(3) Uani 1 1 d . . . . .
H14 H 0.111743 0.030388 0.614873 0.032 Uiso 1 1 calc R . . . .
C15 C 0.26517(16) 0.29530(15) 0.69502(9) 0.0218(3) Uani 1 1 d . . . . .
C16 C 0.25857(16) 0.26776(16) 0.60895(9) 0.0229(3) Uani 1 1 d . . . . .
H16 H 0.168538 0.237778 0.573716 0.028 Uiso 1 1 calc R . . . .
C17 C 0.38106(16) 0.28331(15) 0.57374(9) 0.0221(3) Uani 1 1 d . . . . .
H17 H 0.373660 0.265571 0.514928 0.027 Uiso 1 1 calc R . . . .
C18 C 0.51546(16) 0.32486(15) 0.62393(9) 0.0208(3) Uani 1 1 d . . . . .
C19 C 0.52304(16) 0.34727(16) 0.71065(9) 0.0234(3) Uani 1 1 d . . . . .
H19 H 0.613593 0.370709 0.745638 0.028 Uiso 1 1 calc R . . . .
C20 C 0.39975(16) 0.33544(16) 0.74536(9) 0.0234(3) Uani 1 1 d . . . . .
H20 H 0.406442 0.354838 0.804240 0.028 Uiso 1 1 calc R . . . .
C21 C 0.63110(15) 0.27819(15) 0.50007(9) 0.0213(3) Uani 1 1 d . . . . .
C22 C 0.62248(16) 0.12986(16) 0.46858(9) 0.0234(3) Uani 1 1 d . . . . .
H22 H 0.628436 0.072020 0.505768 0.028 Uiso 1 1 calc R . . . .
C23 C 0.60525(16) 0.06680(16) 0.38319(10) 0.0258(3) Uani 1 1 d . . . . .
H23 H 0.597636 -0.034387 0.361959 0.031 Uiso 1 1 calc R . . . .
C24 C 0.59902(16) 0.15087(18) 0.32822(9) 0.0259(3) Uani 1 1 d . . . . .
C25 C 0.61257(17) 0.29910(18) 0.35947(10) 0.0272(3) Uani 1 1 d . . . . .
H25 H 0.611982 0.357323 0.322510 0.033 Uiso 1 1 calc R . . . .
C26 C 0.62697(17) 0.36146(16) 0.44522(10) 0.0254(3) Uani 1 1 d . . . . .
H26 H 0.634088 0.462613 0.466498 0.030 Uiso 1 1 calc R . . . .
C27 C 0.5491(2) 0.1561(3) 0.18668(11) 0.0453(5) Uani 1 1 d . . . . .
H27A H 0.534572 0.091194 0.129867 0.068 Uiso 1 1 calc GR . . . .
H27B H 0.629701 0.229696 0.193295 0.068 Uiso 1 1 calc GR . . . .
H27C H 0.462269 0.201815 0.196505 0.068 Uiso 1 1 calc GR . . . .
C28 C 0.75321(16) 0.45368(15) 0.62869(9) 0.0223(3) Uani 1 1 d . . . . .
C29 C 0.88964(17) 0.44122(16) 0.60642(10) 0.0264(3) Uani 1 1 d . . . . .
H29 H 0.905390 0.358567 0.565047 0.032 Uiso 1 1 calc R . . . .
C30 C 1.00175(17) 0.54788(18) 0.64397(11) 0.0296(3) Uani 1 1 d . . . . .
H30 H 1.093288 0.538826 0.627308 0.036 Uiso 1 1 calc R . . . .
C31 C 0.98175(17) 0.66848(16) 0.70598(10) 0.0266(3) Uani 1 1 d . . . . .
C32 C 0.84703(17) 0.68261(16) 0.72831(10) 0.0270(3) Uani 1 1 d . . . . .
H32 H 0.832024 0.764450 0.770520 0.032 Uiso 1 1 calc R . . . .
C33 C 0.73383(17) 0.57666(16) 0.68878(10) 0.0261(3) Uani 1 1 d . . . . .
H33 H 0.641136 0.588651 0.703197 0.031 Uiso 1 1 calc R . . . .
C34 C 1.08206(19) 0.89151(18) 0.80367(11) 0.0336(4) Uani 1 1 d . . . . .
H34A H 1.007478 0.940912 0.781344 0.050 Uiso 1 1 calc GR . . . .
H34B H 1.172365 0.955419 0.821254 0.050 Uiso 1 1 calc GR . . . .
H34C H 1.053728 0.864172 0.851758 0.050 Uiso 1 1 calc GR . . . .
C35 C -0.29987(19) 0.70381(19) 1.01205(11) 0.0332(4) Uani 1 1 d . . . . .
C36 C 0.2282(2) 0.8523(2) 1.04249(11) 0.0365(4) 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'
F F 0.0171 0.0103 '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
C24 O1 C27 117.29(15) . . ?
C31 O2 C34 117.10(13) . . ?
C18 N1 C21 117.63(12) . . ?
C18 N1 C28 121.95(12) . . ?
C28 N1 C21 117.62(12) . . ?
C8 N2 C7 117.23(13) . . ?
C7 N3 C10 116.58(13) . . ?
C2 C1 H1 119.9 . . ?
C2 C1 C6 120.21(15) . . ?
C6 C1 H1 119.9 . . ?
C1 C2 C35 118.17(15) . . ?
C3 C2 C1 120.92(15) . . ?
C3 C2 C35 120.90(14) . . ?
C2 C3 H3 120.6 . . ?
C2 C3 C4 118.74(14) . . ?
C4 C3 H3 120.6 . . ?
C3 C4 C5 120.95(15) . . ?
C3 C4 C36 120.35(15) . . ?
C5 C4 C36 118.71(15) . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.03(15) . . ?
C6 C5 H5 120.0 . . ?
C1 C6 C5 119.14(14) . . ?
C1 C6 C7 119.89(14) . . ?
C5 C6 C7 120.97(14) . . ?
N2 C7 C6 115.92(13) . . ?
N3 C7 N2 126.94(14) . . ?
N3 C7 C6 117.13(13) . . ?
N2 C8 C9 121.66(13) . . ?
N2 C8 C15 116.23(13) . . ?
C9 C8 C15 122.08(13) . . ?
C10 C9 C8 115.72(13) . . ?
C14 C9 C8 125.28(14) . . ?
C14 C9 C10 118.93(14) . . ?
N3 C10 C9 121.55(14) . . ?
N3 C10 C11 118.80(14) . . ?
C11 C10 C9 119.63(14) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 119.93(14) . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 119.7 . . ?
C11 C12 C13 120.59(15) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 119.7 . . ?
C14 C13 C12 120.64(15) . . ?
C14 C13 H13 119.7 . . ?
C9 C14 H14 119.9 . . ?
C13 C14 C9 120.22(14) . . ?
C13 C14 H14 119.9 . . ?
C16 C15 C8 120.30(13) . . ?
C16 C15 C20 118.25(13) . . ?
C20 C15 C8 121.34(13) . . ?
C15 C16 H16 119.4 . . ?
C17 C16 C15 121.18(14) . . ?
C17 C16 H16 119.4 . . ?
C16 C17 H17 119.7 . . ?
C16 C17 C18 120.70(13) . . ?
C18 C17 H17 119.7 . . ?
N1 C18 C19 121.13(13) . . ?
C17 C18 N1 120.67(13) . . ?
C17 C18 C19 118.20(13) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 C18 120.57(14) . . ?
C20 C19 H19 119.7 . . ?
C15 C20 H20 119.5 . . ?
C19 C20 C15 121.01(14) . . ?
C19 C20 H20 119.5 . . ?
C22 C21 N1 119.99(13) . . ?
C26 C21 N1 120.69(13) . . ?
C26 C21 C22 119.29(14) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 120.09(14) . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 119.8 . . ?
C22 C23 C24 120.39(14) . . ?
C24 C23 H23 119.8 . . ?
O1 C24 C23 115.32(15) . . ?
O1 C24 C25 124.96(15) . . ?
C25 C24 C23 119.72(14) . . ?
C24 C25 H25 120.2 . . ?
C26 C25 C24 119.51(14) . . ?
C26 C25 H25 120.2 . . ?
C21 C26 C25 120.94(14) . . ?
C21 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
O1 C27 H27A 109.5 . . ?
O1 C27 H27B 109.5 . . ?
O1 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C28 N1 119.50(13) . . ?
C33 C28 N1 122.43(14) . . ?
C33 C28 C29 118.05(14) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 C28 120.69(14) . . ?
C30 C29 H29 119.7 . . ?
C29 C30 H30 119.7 . . ?
C29 C30 C31 120.59(15) . . ?
C31 C30 H30 119.7 . . ?
O2 C31 C30 116.14(14) . . ?
O2 C31 C32 124.55(14) . . ?
C32 C31 C30 119.32(15) . . ?
C31 C32 H32 120.1 . . ?
C31 C32 C33 119.80(14) . . ?
C33 C32 H32 120.1 . . ?
C28 C33 C32 121.49(14) . . ?
C28 C33 H33 119.3 . . ?
C32 C33 H33 119.3 . . ?
O2 C34 H34A 109.5 . . ?
O2 C34 H34B 109.5 . . ?
O2 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
F1 C35 F2 104.61(15) . . ?
F1 C35 C2 113.06(15) . . ?
F2 C35 C2 112.04(14) . . ?
F3 C35 F1 108.12(17) . . ?
F3 C35 F2 106.21(17) . . ?
F3 C35 C2 112.28(15) . . ?
F4 C36 F5 104.76(16) . . ?
F4 C36 C4 113.55(15) . . ?
F5 C36 C4 112.13(15) . . ?
F6 C36 F4 108.38(17) . . ?
F6 C36 F5 104.88(18) . . ?
F6 C36 C4 112.50(15) . . ?
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
F1 C35 1.327(2) . ?
F2 C35 1.329(2) . ?
F3 C35 1.311(2) . ?
F4 C36 1.320(2) . ?
F5 C36 1.338(2) . ?
F6 C36 1.315(2) . ?
O1 C24 1.3657(19) . ?
O1 C27 1.426(2) . ?
O2 C31 1.372(2) . ?
O2 C34 1.424(2) . ?
N1 C18 1.4046(19) . ?
N1 C21 1.4381(19) . ?
N1 C28 1.425(2) . ?
N2 C7 1.3629(19) . ?
N2 C8 1.3211(19) . ?
N3 C7 1.318(2) . ?
N3 C10 1.3652(19) . ?
C1 H1 0.9500 . ?
C1 C2 1.389(2) . ?
C1 C6 1.394(2) . ?
C2 C3 1.388(2) . ?
C2 C35 1.503(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.390(2) . ?
C4 C5 1.391(2) . ?
C4 C36 1.501(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.396(2) . ?
C6 C7 1.489(2) . ?
C8 C9 1.434(2) . ?
C8 C15 1.480(2) . ?
C9 C10 1.422(2) . ?
C9 C14 1.418(2) . ?
C10 C11 1.416(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.370(2) . ?
C12 H12 0.9500 . ?
C12 C13 1.414(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.369(2) . ?
C14 H14 0.9500 . ?
C15 C16 1.392(2) . ?
C15 C20 1.401(2) . ?
C16 H16 0.9500 . ?
C16 C17 1.387(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.399(2) . ?
C18 C19 1.408(2) . ?
C19 H19 0.9500 . ?
C19 C20 1.383(2) . ?
C20 H20 0.9500 . ?
C21 C22 1.395(2) . ?
C21 C26 1.386(2) . ?
C22 H22 0.9500 . ?
C22 C23 1.385(2) . ?
C23 H23 0.9500 . ?
C23 C24 1.393(2) . ?
C24 C25 1.391(2) . ?
C25 H25 0.9500 . ?
C25 C26 1.391(2) . ?
C26 H26 0.9500 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.399(2) . ?
C28 C33 1.389(2) . ?
C29 H29 0.9500 . ?
C29 C30 1.382(2) . ?
C30 H30 0.9500 . ?
C30 C31 1.392(2) . ?
C31 C32 1.385(2) . ?
C32 H32 0.9500 . ?
C32 C33 1.390(2) . ?
C33 H33 0.9500 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
