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#$Date: 2025-08-22 17:55:42 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301864 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/21/88/7218895.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_7218895
loop_
_publ_author_name
'Ou, Hsiu-Wei'
'Chiang, Michael, Y.'
'Vandavasi, Jaya Kishore'
'Lu, Wei-Yi'
'Chen, Yen-Jen'
'Tseng, Hsi-Ching'
'Lai, Yi-Chun'
'Chen, Hsuan-Ying'
_publ_section_title
;
 Comparative Study of Ring-Opening Polymerization of L-Lactide and
 ε-Caprolactone Using Zirconium Hexadentate Bis(aminophenolate) Complexes
 as Catalysts
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C4RA13236J
_journal_year                    2014
_chemical_formula_sum            'C60 H74 F2 N2 O4 Zr'
_chemical_formula_weight         1016.43
_chemical_name_systematic        LFZr(OBn)2
_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/cc13719p
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-08-18 deposited with the CCDC.
2014-11-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 92.112(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.4467(10)
_cell_length_b                   11.8386(6)
_cell_length_c                   24.5461(13)
_cell_measurement_temperature    293(2)
_cell_volume                     5356.8(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0665
_diffrn_reflns_av_sigmaI/netI    0.0721
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            12806
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.81
_exptl_absorpt_coefficient_mu    0.260
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2152
_refine_diff_density_max         1.988
_refine_diff_density_min         -1.553
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     324
_refine_ls_number_reflns         5267
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0849
_refine_ls_R_factor_gt           0.0700
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1209P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1694
_refine_ls_wR_factor_ref         0.1757
_reflns_number_gt                4092
_reflns_number_total             5267
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra13236j1.cif
_cod_data_source_block           obbzr03
_cod_database_code               7218895
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zr1 Zr 0.5000 0.72143(4) 0.7500 0.0139(2) Uani 0.9562(18) 2 d SP . 1
Zr2 Zr 0.4589(10) 0.7121(13) 0.7322(6) 0.0139(2) Uani 0.0219(9) 1 d P . 2
F1 F 0.45418(11) 1.1013(2) 0.63807(9) 0.0353(6) Uani 1 1 d . . .
O1 O 0.46254(12) 0.7429(2) 0.82646(9) 0.0202(5) Uani 1 1 d . . .
O2 O 0.42167(12) 0.6233(2) 0.72410(10) 0.0243(6) Uani 1 1 d . . .
N1 N 0.42193(14) 0.8901(3) 0.73889(11) 0.0184(6) Uani 1 1 d . . .
C1 C 0.41884(17) 0.8053(3) 0.85782(13) 0.0181(7) Uani 1 1 d . . .
C2 C 0.42431(18) 0.8007(3) 0.91528(14) 0.0216(8) Uani 1 1 d . . .
C3 C 0.37902(18) 0.8734(3) 0.94359(14) 0.0223(7) Uani 1 1 d . . .
H3A H 0.3824 0.8719 0.9815 0.027 Uiso 1 1 calc R . .
C4 C 0.32961(17) 0.9472(3) 0.91903(14) 0.0219(7) Uani 1 1 d . . .
C5 C 0.32393(17) 0.9465(3) 0.86246(14) 0.0209(7) Uani 1 1 d . . .
H5A H 0.2906 0.9939 0.8446 0.025 Uiso 1 1 calc R . .
C6 C 0.36774(16) 0.8755(3) 0.83167(13) 0.0183(7) Uani 1 1 d . . .
C7 C 0.35517(16) 0.8722(3) 0.77076(13) 0.0194(7) Uani 1 1 d . . .
H7A H 0.3343 0.7996 0.7607 0.023 Uiso 1 1 calc R . .
H7B H 0.3200 0.9300 0.7604 0.023 Uiso 1 1 calc R . .
C8 C 0.46123(16) 0.9923(3) 0.75843(13) 0.0199(7) Uani 1 1 d . . .
H8A H 0.4601 0.9958 0.7979 0.024 Uiso 1 1 calc R . .
H8B H 0.4369 1.0589 0.7438 0.024 Uiso 1 1 calc R . .
C9 C 0.40029(19) 0.8964(3) 0.67925(13) 0.0211(7) Uani 1 1 d . . .
C10 C 0.35232(18) 0.9932(3) 0.66145(13) 0.0224(8) Uani 1 1 d . . .
C11 C 0.27676(19) 0.9867(4) 0.66102(14) 0.0283(8) Uani 1 1 d . . .
H11A H 0.2549 0.9210 0.6731 0.034 Uiso 1 1 calc R . .
C12 C 0.2336(2) 1.0759(4) 0.64300(16) 0.0350(10) Uani 1 1 d . . .
H12A H 0.1834 1.0708 0.6445 0.042 Uiso 1 1 calc R . .
C13 C 0.2650(2) 1.1728(4) 0.62272(16) 0.0342(9) Uani 1 1 d . . .
H13A H 0.2360 1.2320 0.6098 0.041 Uiso 1 1 calc R . .
C14 C 0.3395(2) 1.1810(4) 0.62179(15) 0.0313(9) Uani 1 1 d . . .
H14A H 0.3613 1.2459 0.6086 0.038 Uiso 1 1 calc R . .
C15 C 0.38113(18) 1.0922(3) 0.64048(14) 0.0250(8) Uani 1 1 d . . .
C16 C 0.47539(19) 0.7164(3) 0.94554(14) 0.0233(8) Uani 1 1 d . . .
C17 C 0.55424(19) 0.7293(4) 0.92890(16) 0.0313(9) Uani 1 1 d . . .
H17A H 0.5568 0.7199 0.8902 0.047 Uiso 1 1 calc R . .
H17B H 0.5837 0.6731 0.9471 0.047 Uiso 1 1 calc R . .
H17C H 0.5716 0.8032 0.9390 0.047 Uiso 1 1 calc R . .
C18 C 0.4505(2) 0.5958(4) 0.93171(15) 0.0316(9) Uani 1 1 d . . .
H18A H 0.4519 0.5842 0.8930 0.047 Uiso 1 1 calc R . .
H18B H 0.4019 0.5850 0.9433 0.047 Uiso 1 1 calc R . .
H18C H 0.4822 0.5427 0.9501 0.047 Uiso 1 1 calc R . .
C19 C 0.4731(2) 0.7309(4) 1.00773(15) 0.0334(9) Uani 1 1 d . . .
H19A H 0.5053 0.6773 1.0253 0.050 Uiso 1 1 calc R . .
H19B H 0.4246 0.7184 1.0192 0.050 Uiso 1 1 calc R . .
H19C H 0.4881 0.8061 1.0175 0.050 Uiso 1 1 calc R . .
C20 C 0.27944(19) 1.0223(3) 0.95258(15) 0.0269(8) Uani 1 1 d . . .
C24 C 0.3701(2) 0.5405(4) 0.71413(18) 0.0374(10) Uani 1 1 d . . .
H24A H 0.3723 0.5174 0.6763 0.045 Uiso 1 1 calc R A 2
H24B H 0.3225 0.5729 0.7191 0.045 Uiso 1 1 calc R A 2
C25 C 0.37821(19) 0.4364(3) 0.74993(16) 0.0293(9) Uani 1 1 d . . .
C26 C 0.33632(19) 0.3419(4) 0.73746(18) 0.0336(9) Uani 1 1 d . . .
H26A H 0.3054 0.3426 0.7067 0.040 Uiso 1 1 calc R . .
C27 C 0.3399(2) 0.2459(4) 0.7704(2) 0.0399(11) Uani 1 1 d . . .
H27A H 0.3105 0.1839 0.7622 0.048 Uiso 1 1 calc R . .
C28 C 0.3872(3) 0.2436(4) 0.8152(2) 0.0428(11) Uani 1 1 d . . .
H28A H 0.3907 0.1793 0.8370 0.051 Uiso 1 1 calc R . .
C29 C 0.4293(3) 0.3372(4) 0.82755(17) 0.0412(10) Uani 1 1 d . . .
H29A H 0.4608 0.3358 0.8580 0.049 Uiso 1 1 calc R . .
C30 C 0.4254(2) 0.4332(4) 0.79521(16) 0.0343(9) Uani 1 1 d . . .
H30A H 0.4544 0.4954 0.8039 0.041 Uiso 1 1 calc R . .
C21 C 0.2628(3) 1.1344(4) 0.92447(19) 0.0530(13) Uani 1 1 d . . .
H21A H 0.3072 1.1751 0.9199 0.080 Uiso 1 1 calc R . .
H21B H 0.2312 1.1782 0.9464 0.080 Uiso 1 1 calc R . .
H21C H 0.2397 1.1206 0.8894 0.080 Uiso 1 1 calc R . .
C22 C 0.2071(3) 0.9599(5) 0.9581(3) 0.0643(17) Uani 1 1 d . . .
H22A H 0.1750 1.0051 0.9790 0.096 Uiso 1 1 calc R . .
H22B H 0.2156 0.8890 0.9763 0.096 Uiso 1 1 calc R . .
H22C H 0.1854 0.9464 0.9225 0.096 Uiso 1 1 calc R . .
C23 C 0.3120(3) 1.0459(6) 1.0085(2) 0.075(2) Uani 1 1 d . . .
H23A H 0.3572 1.0850 1.0053 0.112 Uiso 1 1 calc R . .
H23B H 0.3202 0.9759 1.0275 0.112 Uiso 1 1 calc R . .
H23C H 0.2792 1.0919 1.0285 0.112 Uiso 1 1 calc R . .
H9A H 0.3739(19) 0.827(4) 0.6709(15) 0.019(9) Uiso 1 1 d . . .
H9B H 0.439(2) 0.893(4) 0.6640(17) 0.028(11) Uiso 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zr Zr -2.9673 0.5597 '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
O2 Zr1 O2 106.57(15) . 2_656
O2 Zr1 O1 95.88(10) . .
O2 Zr1 O1 92.67(10) 2_656 .
O2 Zr1 O1 92.67(10) . 2_656
O2 Zr1 O1 95.88(10) 2_656 2_656
O1 Zr1 O1 165.68(14) . 2_656
O2 Zr1 N1 160.51(10) . 2_656
O2 Zr1 N1 91.34(10) 2_656 2_656
O1 Zr1 N1 90.77(9) . 2_656
O1 Zr1 N1 77.59(9) 2_656 2_656
O2 Zr1 N1 91.34(10) . .
O2 Zr1 N1 160.51(10) 2_656 .
O1 Zr1 N1 77.59(9) . .
O1 Zr1 N1 90.78(9) 2_656 .
N1 Zr1 N1 72.20(13) 2_656 .
O2 Zr2 Zr2 122.8(8) . 2_656
O2 Zr2 O1 114.8(9) . 2_656
Zr2 Zr2 O1 74.6(9) 2_656 2_656
O2 Zr2 N1 129.2(12) . .
Zr2 Zr2 N1 103.2(6) 2_656 .
O1 Zr2 N1 96.1(6) 2_656 .
O2 Zr2 O1 106.2(8) . .
Zr2 Zr2 O1 60.3(9) 2_656 .
O1 Zr2 O1 130.7(10) 2_656 .
N1 Zr2 O1 77.1(5) . .
O2 Zr2 O2 100.0(9) . 2_656
Zr2 Zr2 O2 23.9(4) 2_656 2_656
O1 Zr2 O2 76.2(6) 2_656 2_656
N1 Zr2 O2 127.0(8) . 2_656
O1 Zr2 O2 70.5(5) . 2_656
O2 Zr2 C24 5.7(4) . .
Zr2 Zr2 C24 127.9(5) 2_656 .
O1 Zr2 C24 117.2(7) 2_656 .
N1 Zr2 C24 123.5(8) . .
O1 Zr2 C24 106.3(5) . .
O2 Zr2 C24 105.4(5) 2_656 .
C1 O1 Zr1 145.1(2) . .
C1 O1 Zr2 156.9(5) . 2_656
Zr1 O1 Zr2 24.1(6) . 2_656
C1 O1 Zr2 130.6(5) . .
Zr1 O1 Zr2 21.5(5) . .
Zr2 O1 Zr2 45.1(10) 2_656 .
Zr2 O2 C24 169.2(8) . .
Zr2 O2 Zr1 20.0(8) . .
C24 O2 Zr1 168.9(2) . .
Zr2 O2 Zr2 33.4(10) . 2_656
C24 O2 Zr2 156.3(4) . 2_656
Zr1 O2 Zr2 13.4(4) . 2_656
C8 N1 C7 110.4(3) . .
C8 N1 C9 112.5(3) . .
C7 N1 C9 108.7(2) . .
C8 N1 Zr2 130.6(6) . .
C7 N1 Zr2 99.5(4) . .
C9 N1 Zr2 92.6(5) . .
C8 N1 Zr1 110.37(18) . .
C7 N1 Zr1 108.4(2) . .
C9 N1 Zr1 106.3(2) . .
Zr2 N1 Zr1 20.4(5) . .
O1 C1 C6 118.0(3) . .
O1 C1 C2 121.6(3) . .
C6 C1 C2 120.3(3) . .
C3 C2 C1 116.7(3) . .
C3 C2 C16 121.5(3) . .
C1 C2 C16 121.7(3) . .
C4 C3 C2 124.5(3) . .
C4 C3 H3A 117.7 . .
C2 C3 H3A 117.7 . .
C3 C4 C5 117.1(3) . .
C3 C4 C20 122.0(3) . .
C5 C4 C20 120.8(3) . .
C4 C5 C6 121.1(3) . .
C4 C5 H5A 119.4 . .
C6 C5 H5A 119.4 . .
C1 C6 C5 120.1(3) . .
C1 C6 C7 121.3(3) . .
C5 C6 C7 118.6(3) . .
N1 C7 C6 114.6(3) . .
N1 C7 H7A 108.6 . .
C6 C7 H7A 108.6 . .
N1 C7 H7B 108.6 . .
C6 C7 H7B 108.6 . .
H7A C7 H7B 107.6 . .
N1 C8 C8 111.7(2) . 2_656
N1 C8 H8A 109.3 . .
C8 C8 H8A 109.3 2_656 .
N1 C8 H8B 109.3 . .
C8 C8 H8B 109.3 2_656 .
H8A C8 H8B 107.9 . .
N1 C9 C10 117.0(3) . .
N1 C9 H9A 106(2) . .
C10 C9 H9A 107(2) . .
N1 C9 H9B 104(3) . .
C10 C9 H9B 115(3) . .
H9A C9 H9B 108(4) . .
C11 C10 C15 116.0(3) . .
C11 C10 C9 122.5(3) . .
C15 C10 C9 121.4(3) . .
C11 C10 H9B 140.3(13) . .
C15 C10 H9B 101.2(13) . .
C9 C10 H9B 22.1(13) . .
C12 C11 C10 121.5(4) . .
C12 C11 H11A 119.2 . .
C10 C11 H11A 119.2 . .
C13 C12 C11 120.1(4) . .
C13 C12 H12A 119.9 . .
C11 C12 H12A 119.9 . .
C14 C13 C12 119.6(4) . .
C14 C13 H13A 120.2 . .
C12 C13 H13A 120.2 . .
C15 C14 C13 119.1(4) . .
C15 C14 H14A 120.4 . .
C13 C14 H14A 120.4 . .
F1 C15 C14 118.0(3) . .
F1 C15 C10 118.4(3) . .
C14 C15 C10 123.5(3) . .
C17 C16 C18 108.2(3) . .
C17 C16 C19 108.3(3) . .
C18 C16 C19 107.7(3) . .
C17 C16 C2 112.1(3) . .
C18 C16 C2 108.8(3) . .
C19 C16 C2 111.5(3) . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C16 C19 H19A 109.5 . .
C16 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C16 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C23 C20 C21 108.6(4) . .
C23 C20 C22 109.1(4) . .
C21 C20 C22 107.4(4) . .
C23 C20 C4 111.6(3) . .
C21 C20 C4 112.0(3) . .
C22 C20 C4 108.1(3) . .
O2 C24 C25 114.9(3) . .
O2 C24 Zr2 5.2(4) . .
C25 C24 Zr2 118.8(4) . .
O2 C24 H24A 108.5 . .
C25 C24 H24A 108.5 . .
Zr2 C24 H24A 109.3 . .
O2 C24 H24B 108.5 . .
C25 C24 H24B 108.5 . .
Zr2 C24 H24B 103.6 . .
H24A C24 H24B 107.5 . .
C30 C25 C26 118.9(4) . .
C30 C25 C24 122.1(4) . .
C26 C25 C24 119.0(4) . .
C25 C26 C27 121.0(4) . .
C25 C26 H26A 119.5 . .
C27 C26 H26A 119.5 . .
C28 C27 C26 119.6(4) . .
C28 C27 H27A 120.2 . .
C26 C27 H27A 120.2 . .
C27 C28 C29 119.6(4) . .
C27 C28 H28A 120.2 . .
C29 C28 H28A 120.2 . .
C28 C29 C30 121.0(4) . .
C28 C29 H29A 119.5 . .
C30 C29 H29A 119.5 . .
C25 C30 C29 119.9(4) . .
C25 C30 H30A 120.0 . .
C29 C30 H30A 120.0 . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C22 H22A 109.5 . .
C20 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C20 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C20 C23 H23A 109.5 . .
C20 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C20 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zr1 O2 1.942(2) .
Zr1 O2 1.942(2) 2_656
Zr1 O1 2.040(2) .
Zr1 O1 2.040(2) 2_656
Zr1 N1 2.471(3) 2_656
Zr1 N1 2.471(3) .
Zr2 O2 1.267(18) .
Zr2 Zr2 1.72(4) 2_656
Zr2 O1 2.111(15) 2_656
Zr2 N1 2.223(15) .
Zr2 O1 2.342(16) .
Zr2 O2 2.633(19) 2_656
Zr2 C24 2.636(19) .
F1 C15 1.355(4) .
O1 C1 1.354(4) .
O1 Zr2 2.111(15) 2_656
O2 C24 1.381(5) .
O2 Zr2 2.633(19) 2_656
N1 C8 1.481(4) .
N1 C7 1.498(4) .
N1 C9 1.505(4) .
C1 C6 1.395(5) .
C1 C2 1.411(5) .
C2 C3 1.401(5) .
C2 C16 1.544(5) .
C3 C4 1.385(5) .
C3 H3A 0.9300 .
C4 C5 1.389(5) .
C4 C20 1.543(5) .
C5 C6 1.406(5) .
C5 H5A 0.9300 .
C6 C7 1.505(4) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C8 1.504(6) 2_656
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.503(5) .
C9 H9A 0.97(4) .
C9 H9B 0.83(4) .
C10 C11 1.396(5) .
C10 C15 1.394(5) .
C10 H9B 2.00(4) .
C11 C12 1.386(6) .
C11 H11A 0.9300 .
C12 C13 1.386(6) .
C12 H12A 0.9300 .
C13 C14 1.380(6) .
C13 H13A 0.9300 .
C14 C15 1.370(5) .
C14 H14A 0.9300 .
C16 C17 1.533(5) .
C16 C18 1.534(6) .
C16 C19 1.538(5) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 C23 1.505(6) .
C20 C21 1.522(6) .
C20 C22 1.536(6) .
C24 C25 1.518(6) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C30 1.386(5) .
C25 C26 1.387(5) .
C26 C27 1.395(7) .
C26 H26A 0.9300 .
C27 C28 1.379(7) .
C27 H27A 0.9300 .
C28 C29 1.381(6) .
C28 H28A 0.9300 .
C29 C30 1.387(6) .
C29 H29A 0.9300 .
C30 H30A 0.9300 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139199536
