#------------------------------------------------------------------------------
#$Date: 2020-10-06 14:14:24 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257976 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/10/7241072.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_7241072
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         'C H2 Cl2, C34 H19 F6 N3 O'
_chemical_formula_sum            'C35 H21 Cl2 F6 N3 O'
_chemical_formula_weight         684.45
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-05-28
_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                90
_cell_angle_beta                 93.920(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.437(4)
_cell_length_b                   11.159(4)
_cell_length_c                   26.443(8)
_cell_measurement_reflns_used    9946
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      26.36
_cell_measurement_theta_min      2.40
_cell_volume                     3072.5(19)
_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 0.999
_diffrn_measured_fraction_theta_max 0.997
_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  0.0286
_diffrn_reflns_av_unetI/netI     0.0254
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            21209
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.264
_diffrn_reflns_theta_min         2.391
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.283
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6933
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0793 before and 0.0433 after correction.
The Ratio of minimum to maximum transmission is 0.9301.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_description       block
_exptl_crystal_F_000             1392
_exptl_crystal_size_max          0.412
_exptl_crystal_size_mid          0.188
_exptl_crystal_size_min          0.174
_refine_diff_density_max         1.039
_refine_diff_density_min         -0.509
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         6189
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0639
_refine_ls_R_factor_gt           0.0541
_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)+(0.0618P)²+3.4357P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1373
_refine_ls_wR_factor_ref         0.1463
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5178
_reflns_number_total             6189
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ra05701k2.cif
_cod_data_source_block           190528_wzc_4349_0m
_cod_depositor_comments
'Adding full bibliography for 7241071--7241074.cif.'
_cod_original_cell_volume        3072.6(18)
_cod_database_code               7241072
_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   0.952
_shelx_estimated_absorpt_t_min   0.892
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C35(H35A,H35B)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C10(H10), C12(H12), C14(H14), C18(H18),
 C19(H19), C21(H21), C22(H22), C24(H24), C25(H25), C26(H26), C27(H27), C31(H31),
  C32(H32), C33(H33), C34(H34)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Cl1 Cl 0.23409(8) 0.63033(7) 0.39731(3) 0.0596(2) Uani 1 1 d . . . . .
Cl2 Cl 0.24081(8) 0.42528(7) 0.32871(3) 0.0568(2) Uani 1 1 d . . . . .
C35 C 0.1636(3) 0.5601(3) 0.34315(11) 0.0594(9) Uani 1 1 d . . . . .
H35A H 0.166278 0.615385 0.313970 0.071 Uiso 1 1 calc R . . . .
H35B H 0.072363 0.543151 0.348363 0.071 Uiso 1 1 calc R . . . .
F1 F 0.92980(17) 1.0930(2) 0.33191(8) 0.0733(6) Uani 1 1 d . . . . .
F2 F 0.7974(2) 1.22663(18) 0.34962(8) 0.0849(7) Uani 1 1 d . . . . .
F3 F 0.78912(19) 1.15120(19) 0.27508(6) 0.0686(6) Uani 1 1 d . . . . .
F4 F 0.5386(2) 0.7852(3) 0.24026(8) 0.1012(9) Uani 1 1 d . . . . .
F5 F 0.4709(3) 0.6855(2) 0.29850(9) 0.1050(10) Uani 1 1 d . . . . .
F6 F 0.3723(2) 0.8387(3) 0.27495(12) 0.1273(13) Uani 1 1 d . . . . .
O1 O 0.05596(17) 0.19082(14) 0.59517(7) 0.0373(4) Uani 1 1 d . . . . .
N1 N 0.68073(16) 0.97269(15) 0.49672(6) 0.0232(4) Uani 1 1 d . . . . .
N2 N 0.53457(16) 0.80990(15) 0.47650(6) 0.0227(4) Uani 1 1 d . . . . .
N3 N 0.19622(19) 0.39790(18) 0.57129(7) 0.0331(4) Uani 1 1 d . . . . .
C1 C 0.7415(2) 1.0218(2) 0.58371(8) 0.0277(4) Uani 1 1 d . . . . .
H1 H 0.790698 1.087561 0.572965 0.033 Uiso 1 1 calc R . . . .
C2 C 0.7373(2) 0.9972(2) 0.63447(8) 0.0313(5) Uani 1 1 d . . . . .
H2 H 0.785742 1.044995 0.658599 0.038 Uiso 1 1 calc R . . . .
C3 C 0.6618(2) 0.9018(2) 0.65129(8) 0.0317(5) Uani 1 1 d . . . . .
H3 H 0.659736 0.886190 0.686550 0.038 Uiso 1 1 calc R . . . .
C4 C 0.5913(2) 0.8315(2) 0.61695(8) 0.0272(4) Uani 1 1 d . . . . .
H4 H 0.539304 0.768609 0.628494 0.033 Uiso 1 1 calc R . . . .
C5 C 0.59647(18) 0.85296(18) 0.56410(8) 0.0220(4) Uani 1 1 d . . . . .
C6 C 0.67242(18) 0.94888(18) 0.54733(7) 0.0218(4) Uani 1 1 d . . . . .
C7 C 0.61418(18) 0.90200(18) 0.46464(8) 0.0216(4) Uani 1 1 d . . . . .
C8 C 0.52671(18) 0.78552(18) 0.52522(8) 0.0218(4) Uani 1 1 d . . . . .
C9 C 0.62522(19) 0.92243(19) 0.40917(8) 0.0236(4) Uani 1 1 d . . . . .
C10 C 0.7059(2) 1.01174(19) 0.39254(8) 0.0262(4) Uani 1 1 d . . . . .
H10 H 0.753836 1.060276 0.416524 0.031 Uiso 1 1 calc R . . . .
C11 C 0.7164(2) 1.0300(2) 0.34079(8) 0.0299(5) Uani 1 1 d . . . . .
C12 C 0.6472(2) 0.9599(2) 0.30488(8) 0.0318(5) Uani 1 1 d . . . . .
H12 H 0.654711 0.972694 0.269688 0.038 Uiso 1 1 calc R . . . .
C13 C 0.5669(2) 0.8709(2) 0.32160(8) 0.0307(5) Uani 1 1 d . . . . .
C14 C 0.5550(2) 0.85219(19) 0.37321(8) 0.0267(4) Uani 1 1 d . . . . .
H14 H 0.499107 0.791580 0.384010 0.032 Uiso 1 1 calc R . . . .
C15 C 0.8061(3) 1.1252(2) 0.32397(9) 0.0404(6) Uani 1 1 d . . . . .
C16 C 0.4876(2) 0.7975(2) 0.28348(9) 0.0396(6) Uani 1 1 d . . . . .
C17 C 0.44052(19) 0.68488(18) 0.53777(7) 0.0220(4) Uani 1 1 d . . . . .
C18 C 0.4904(2) 0.5817(2) 0.56149(9) 0.0313(5) Uani 1 1 d . . . . .
H18 H 0.579864 0.576222 0.570632 0.038 Uiso 1 1 calc R . . . .
C19 C 0.4099(2) 0.4866(2) 0.57185(9) 0.0329(5) Uani 1 1 d . . . . .
H19 H 0.444467 0.415455 0.587076 0.040 Uiso 1 1 calc R . . . .
C20 C 0.2782(2) 0.49629(19) 0.55975(8) 0.0272(4) Uani 1 1 d . . . . .
C21 C 0.2274(2) 0.5993(2) 0.53693(9) 0.0291(5) Uani 1 1 d . . . . .
H21 H 0.137438 0.606104 0.529300 0.035 Uiso 1 1 calc R . . . .
C22 C 0.3089(2) 0.69293(19) 0.52520(8) 0.0269(4) Uani 1 1 d . . . . .
H22 H 0.274482 0.762461 0.508571 0.032 Uiso 1 1 calc R . . . .
C23 C 0.1699(2) 0.3736(2) 0.62195(8) 0.0290(5) Uani 1 1 d . . . . .
C24 C 0.2077(2) 0.4498(2) 0.66190(9) 0.0370(5) Uani 1 1 d . . . . .
H24 H 0.251476 0.522204 0.655349 0.044 Uiso 1 1 calc R . . . .
C25 C 0.1816(3) 0.4206(3) 0.71166(10) 0.0454(6) Uani 1 1 d . . . . .
H25 H 0.207846 0.473417 0.738581 0.054 Uiso 1 1 calc R . . . .
C26 C 0.1180(3) 0.3154(3) 0.72201(10) 0.0453(6) Uani 1 1 d . . . . .
H26 H 0.102107 0.295092 0.755901 0.054 Uiso 1 1 calc R . . . .
C27 C 0.0776(2) 0.2399(2) 0.68214(10) 0.0383(6) Uani 1 1 d . . . . .
H27 H 0.033173 0.167918 0.688831 0.046 Uiso 1 1 calc R . . . .
C28 C 0.1019(2) 0.2690(2) 0.63287(9) 0.0298(5) Uani 1 1 d . . . . .
C29 C 0.0674(2) 0.22539(19) 0.54505(9) 0.0284(5) Uani 1 1 d . . . . .
C30 C 0.13874(19) 0.32587(19) 0.53217(8) 0.0262(4) Uani 1 1 d . . . . .
C31 C 0.1521(2) 0.3486(2) 0.48089(9) 0.0298(5) Uani 1 1 d . . . . .
H31 H 0.200719 0.415762 0.471223 0.036 Uiso 1 1 calc R . . . .
C32 C 0.0946(2) 0.2734(2) 0.44363(9) 0.0345(5) Uani 1 1 d . . . . .
H32 H 0.105154 0.289326 0.408862 0.041 Uiso 1 1 calc R . . . .
C33 C 0.0224(2) 0.1759(2) 0.45716(10) 0.0358(5) Uani 1 1 d . . . . .
H33 H -0.017099 0.125108 0.431808 0.043 Uiso 1 1 calc R . . . .
C34 C 0.0083(2) 0.1529(2) 0.50799(10) 0.0330(5) Uani 1 1 d . . . . .
H34 H -0.042420 0.086926 0.517441 0.040 Uiso 1 1 calc R . . . .
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'
Cl Cl 0.1484 0.1585 '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
Cl1 C35 Cl2 112.79(16) . . ?
Cl1 C35 H35A 109.0 . . ?
Cl1 C35 H35B 109.0 . . ?
Cl2 C35 H35A 109.0 . . ?
Cl2 C35 H35B 109.0 . . ?
H35A C35 H35B 107.8 . . ?
C28 O1 C29 117.53(17) . . ?
C7 N1 C6 116.43(17) . . ?
C8 N2 C7 117.07(17) . . ?
C23 N3 C20 120.36(18) . . ?
C30 N3 C20 120.59(18) . . ?
C30 N3 C23 119.04(18) . . ?
C2 C1 H1 120.0 . . ?
C2 C1 C6 120.0(2) . . ?
C6 C1 H1 120.0 . . ?
C1 C2 H2 119.6 . . ?
C1 C2 C3 120.9(2) . . ?
C3 C2 H2 119.6 . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.4(2) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 120.1 . . ?
C3 C4 C5 119.9(2) . . ?
C5 C4 H4 120.1 . . ?
C4 C5 C8 124.40(19) . . ?
C6 C5 C4 119.54(18) . . ?
C6 C5 C8 116.04(18) . . ?
N1 C6 C1 119.13(18) . . ?
N1 C6 C5 121.59(18) . . ?
C1 C6 C5 119.28(18) . . ?
N1 C7 N2 126.94(18) . . ?
N1 C7 C9 117.80(18) . . ?
N2 C7 C9 115.27(18) . . ?
N2 C8 C5 121.86(18) . . ?
N2 C8 C17 116.72(18) . . ?
C5 C8 C17 121.42(18) . . ?
C10 C9 C7 120.42(19) . . ?
C10 C9 C14 119.01(19) . . ?
C14 C9 C7 120.57(19) . . ?
C9 C10 H10 119.9 . . ?
C9 C10 C11 120.2(2) . . ?
C11 C10 H10 119.9 . . ?
C10 C11 C15 119.1(2) . . ?
C12 C11 C10 121.0(2) . . ?
C12 C11 C15 120.0(2) . . ?
C11 C12 H12 120.7 . . ?
C13 C12 C11 118.7(2) . . ?
C13 C12 H12 120.7 . . ?
C12 C13 C14 120.9(2) . . ?
C12 C13 C16 119.5(2) . . ?
C14 C13 C16 119.6(2) . . ?
C9 C14 H14 119.9 . . ?
C13 C14 C9 120.2(2) . . ?
C13 C14 H14 119.9 . . ?
F1 C15 C11 112.1(2) . . ?
F2 C15 F1 104.3(2) . . ?
F2 C15 C11 112.7(2) . . ?
F3 C15 F1 105.9(2) . . ?
F3 C15 F2 107.7(2) . . ?
F3 C15 C11 113.5(2) . . ?
F4 C16 F5 103.5(3) . . ?
F4 C16 C13 114.1(2) . . ?
F5 C16 C13 113.0(2) . . ?
F6 C16 F4 108.4(3) . . ?
F6 C16 F5 104.3(3) . . ?
F6 C16 C13 112.8(2) . . ?
C18 C17 C8 120.64(18) . . ?
C22 C17 C8 119.89(18) . . ?
C22 C17 C18 119.47(19) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.4(2) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 120.2 . . ?
C18 C19 C20 119.6(2) . . ?
C20 C19 H19 120.2 . . ?
C19 C20 N3 118.9(2) . . ?
C21 C20 N3 120.7(2) . . ?
C21 C20 C19 120.4(2) . . ?
C20 C21 H21 120.1 . . ?
C20 C21 C22 119.8(2) . . ?
C22 C21 H21 120.1 . . ?
C17 C22 C21 120.3(2) . . ?
C17 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C24 C23 N3 122.6(2) . . ?
C24 C23 C28 118.2(2) . . ?
C28 C23 N3 119.2(2) . . ?
C23 C24 H24 119.7 . . ?
C23 C24 C25 120.5(2) . . ?
C25 C24 H24 119.7 . . ?
C24 C25 H25 119.7 . . ?
C26 C25 C24 120.6(3) . . ?
C26 C25 H25 119.7 . . ?
C25 C26 H26 120.4 . . ?
C25 C26 C27 119.2(2) . . ?
C27 C26 H26 120.4 . . ?
C26 C27 H27 119.8 . . ?
C28 C27 C26 120.4(2) . . ?
C28 C27 H27 119.8 . . ?
O1 C28 C23 122.0(2) . . ?
C27 C28 O1 117.0(2) . . ?
C27 C28 C23 121.1(2) . . ?
O1 C29 C30 122.3(2) . . ?
C34 C29 O1 116.7(2) . . ?
C34 C29 C30 121.0(2) . . ?
C29 C30 N3 119.0(2) . . ?
C31 C30 N3 122.89(19) . . ?
C31 C30 C29 118.1(2) . . ?
C30 C31 H31 119.7 . . ?
C30 C31 C32 120.6(2) . . ?
C32 C31 H31 119.7 . . ?
C31 C32 H32 119.8 . . ?
C33 C32 C31 120.3(2) . . ?
C33 C32 H32 119.8 . . ?
C32 C33 H33 120.3 . . ?
C32 C33 C34 119.5(2) . . ?
C34 C33 H33 120.3 . . ?
C29 C34 C33 120.5(2) . . ?
C29 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
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
Cl1 C35 1.750(3) . ?
Cl2 C35 1.761(3) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
F1 C15 1.343(3) . ?
F2 C15 1.325(3) . ?
F3 C15 1.325(3) . ?
F4 C16 1.300(3) . ?
F5 C16 1.327(4) . ?
F6 C16 1.294(3) . ?
O1 C28 1.386(3) . ?
O1 C29 1.393(3) . ?
N1 C6 1.373(3) . ?
N1 C7 1.321(3) . ?
N2 C7 1.371(3) . ?
N2 C8 1.325(3) . ?
N3 C20 1.437(3) . ?
N3 C23 1.412(3) . ?
N3 C30 1.411(3) . ?
C1 H1 0.9500 . ?
C1 C2 1.374(3) . ?
C1 C6 1.419(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.415(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.375(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.423(3) . ?
C5 C6 1.421(3) . ?
C5 C8 1.432(3) . ?
C7 C9 1.497(3) . ?
C8 C17 1.490(3) . ?
C9 C10 1.395(3) . ?
C9 C14 1.400(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.395(3) . ?
C11 C12 1.393(3) . ?
C11 C15 1.503(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.392(3) . ?
C13 C14 1.394(3) . ?
C13 C16 1.502(3) . ?
C14 H14 0.9500 . ?
C17 C18 1.395(3) . ?
C17 C22 1.394(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.393(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.394(3) . ?
C20 C21 1.387(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.395(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.392(3) . ?
C23 C28 1.406(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.400(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.385(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.393(4) . ?
C27 H27 0.9500 . ?
C27 C28 1.383(3) . ?
C29 C30 1.401(3) . ?
C29 C34 1.383(3) . ?
C30 C31 1.396(3) . ?
C31 H31 0.9500 . ?
C31 C32 1.398(3) . ?
C32 H32 0.9500 . ?
C32 C33 1.385(3) . ?
C33 H33 0.9500 . ?
C33 C34 1.386(4) . ?
C34 H34 0.9500 . ?
