#------------------------------------------------------------------------------
#$Date: 2019-11-22 22:31:01 +0200 (Fri, 22 Nov 2019) $
#$Revision: 231437 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/00/32/4003219.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_4003219
loop_
_publ_author_name
'Ju, Zhanfeng'
'Yan, Shichen'
'Yuan, Daqiang'
_publ_section_title
;
 De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in
 a Urea-Containing MOFs Catalytic Platform
;
_journal_issue                   7
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2000
_journal_paper_doi               10.1021/acs.chemmater.5b03999
_journal_volume                  28
_journal_year                    2016
_chemical_formula_sum            'C60 H48 In3 N12 O22'
_chemical_formula_weight         1633.56
_space_group_crystal_system      trigonal
_space_group_IT_number           152
_space_group_name_Hall           'P 31 2"'
_space_group_name_H-M_alt        'P 31 2 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   24.4186(5)
_cell_length_b                   24.4186(5)
_cell_length_c                   55.4757(11)
_cell_measurement_reflns_used    12258
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      60.8230
_cell_measurement_theta_min      3.7040
_cell_volume                     28646.7(10)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.5594
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0882
_diffrn_reflns_av_unetI/netI     0.0989
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       63
_diffrn_reflns_limit_l_min       -68
_diffrn_reflns_number            70596
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.579
_diffrn_reflns_theta_min         3.811
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.562
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.27539
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.284
_exptl_crystal_description       prism
_exptl_crystal_F_000             2445
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.459
_refine_diff_density_min         -0.700
_refine_diff_density_rms         0.034
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.176(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.899
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     434
_refine_ls_number_reflns         36370
_refine_ls_number_restraints     972
_refine_ls_restrained_S_all      0.926
_refine_ls_R_factor_all          0.1078
_refine_ls_R_factor_gt           0.0627
_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)+(0.0668P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1506
_refine_ls_wR_factor_ref         0.1905
_reflns_Friedel_coverage         0.866
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.986
_reflns_number_gt                17916
_reflns_number_total             36370
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cm5b03999_si_002.cif
_cod_data_source_block           URMOF4
_cod_original_cell_volume        28646.7(13)
_cod_database_code               4003219
_shelx_shelxl_version_number     2014/7
_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   0.756
_shelx_estimated_absorpt_t_max   0.859
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
'x-y, -y, -z+2/3'
'-x, -x+y, -z+1/3'
'y, x, -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
In1 In 0.62836(4) 0.62836(4) 0.5000 0.1154(3) Uani 1 2 d S TU P
In2 In 0.77849(3) 0.72900(3) 0.47478(2) 0.11262(19) Uani 1 1 d . U .
O1 O 0.7635(3) 0.6345(3) 0.47460(9) 0.1324(18) Uani 1 1 d . U .
O2 O 0.6684(3) 0.5686(3) 0.49132(9) 0.144(2) Uani 1 1 d . U .
O3 O 0.7552(3) -0.1472(3) 0.49959(8) 0.1343(18) Uani 1 1 d D U .
O4 O 0.7969(3) -0.1778(3) 0.47021(9) 0.1339(19) Uani 1 1 d D U .
O5 O 0.9771(3) 0.3662(3) 0.20510(8) 0.1329(18) Uani 1 1 d D U .
O6 O 1.0086(3) 0.2994(4) 0.22046(8) 0.159(2) Uani 1 1 d D U .
O7 O 0.7890(4) 0.1258(4) 0.44333(14) 0.236(3) Uani 1 1 d D U .
O8 O 0.8071(4) 0.4104(3) 0.41900(12) 0.216(4) Uani 1 1 d D U .
O9 O 0.8916(4) 0.2620(4) 0.33387(11) 0.211(3) Uani 1 1 d D U .
O10 O 0.7155(3) 0.7155(3) 0.5000 0.1018(18) Uani 1 2 d S TU P
O11 O 0.8455(3) 0.7461(3) 0.44819(10) 0.159(2) Uani 1 1 d . U .
O12 O 0.5404(3) 0.5404(3) 0.5000 0.129(2) Uani 1 2 d S TU P
N1 N 0.7387(4) 0.3717(4) 0.45067(14) 0.198(3) Uani 1 1 d D U .
H1N H 0.7161 0.3380 0.4589 0.238 Uiso 1 1 calc R U .
N2 N 0.7648(4) 0.3063(4) 0.43047(14) 0.186(3) Uani 1 1 d D U .
H2N H 0.7437 0.2809 0.4420 0.223 Uiso 1 1 calc R U .
N3 N 0.8252(5) 0.0685(5) 0.42292(18) 0.252(5) Uani 1 1 d D U .
H3N H 0.8386 0.0659 0.4089 0.302 Uiso 1 1 calc R U .
N4 N 0.8347(5) 0.1577(5) 0.40524(17) 0.261(5) Uani 1 1 d D U .
H4N H 0.8543 0.1503 0.3940 0.313 Uiso 1 1 calc R U .
N5 N 0.8523(4) 0.3192(4) 0.35214(14) 0.212(4) Uani 1 1 d D U .
H5N H 0.8474 0.3514 0.3503 0.255 Uiso 1 1 calc R U .
N6 N 0.8909(4) 0.3439(4) 0.31408(13) 0.189(3) Uani 1 1 d D U .
H6N H 0.8815 0.3734 0.3156 0.227 Uiso 1 1 calc R U .
C1 C 0.7192(5) 0.5815(5) 0.48091(14) 0.134(3) Uani 1 1 d . U .
C2 C 0.7274(5) 0.5271(5) 0.47385(12) 0.151(3) Uani 1 1 d D U .
C3 C 0.6794(5) 0.4675(5) 0.47922(13) 0.176(4) Uani 1 1 d D U .
H3 H 0.6450 0.4624 0.4882 0.211 Uiso 1 1 calc R U .
C4 C 0.6815(5) 0.4135(5) 0.47118(15) 0.195(4) Uani 1 1 d D U .
H4 H 0.6492 0.3726 0.4745 0.234 Uiso 1 1 calc R U .
C5 C 0.7359(6) 0.4256(5) 0.45778(16) 0.173(4) Uani 1 1 d D U .
C6 C 0.7840(5) 0.4854(6) 0.45219(17) 0.197(4) Uani 1 1 d D U .
H6 H 0.8193 0.4913 0.4437 0.236 Uiso 1 1 calc R U .
C7 C 0.7784(4) 0.5386(4) 0.45987(14) 0.155(3) Uani 1 1 d D U .
H7 H 0.8084 0.5796 0.4555 0.186 Uiso 1 1 calc R U .
C8 C 0.7732(4) 0.3664(5) 0.43216(14) 0.182(4) Uani 1 1 d D U .
C9 C 0.7860(4) 0.2816(5) 0.41274(19) 0.194(4) Uani 1 1 d D U .
C10 C 0.7954(4) 0.2318(5) 0.41946(16) 0.182(4) Uani 1 1 d D U .
H10 H 0.7831 0.2134 0.4346 0.218 Uiso 1 1 calc R U .
C11 C 0.8239(5) 0.2099(5) 0.4029(2) 0.218(5) Uani 1 1 d D U .
C12 C 0.8428(5) 0.2366(6) 0.3802(2) 0.215(5) Uani 1 1 d D U .
H12 H 0.8619 0.2223 0.3694 0.259 Uiso 1 1 calc R U .
C13 C 0.8316(5) 0.2873(6) 0.37414(18) 0.211(4) Uani 1 1 d D U .
C14 C 0.8042(5) 0.3097(5) 0.3902(2) 0.209(4) Uani 1 1 d D U .
H14 H 0.7981 0.3431 0.3860 0.251 Uiso 1 1 calc R U .
C15 C 0.8137(3) 0.1182(5) 0.42571(18) 0.236(3) Uani 1 1 d D U .
C16 C 0.8186(5) 0.0223(5) 0.43898(19) 0.198(4) Uani 1 1 d D U .
C17 C 0.7882(4) 0.0116(4) 0.46097(17) 0.175(4) Uani 1 1 d D U .
H17 H 0.7745 0.0382 0.4669 0.211 Uiso 1 1 calc R U .
C18 C 0.7793(4) -0.0419(4) 0.47382(15) 0.158(3) Uani 1 1 d D U .
H18 H 0.7589 -0.0506 0.4887 0.190 Uiso 1 1 calc R U .
C19 C 0.7987(4) -0.0809(4) 0.46571(14) 0.137(3) Uani 1 1 d D U .
C20 C 0.8293(5) -0.0703(5) 0.44273(17) 0.178(4) Uani 1 1 d D U .
H20 H 0.8409 -0.0986 0.4368 0.214 Uiso 1 1 calc R U .
C21 C 0.8414(5) -0.0169(5) 0.42936(17) 0.198(4) Uani 1 1 d D U .
H21 H 0.8632 -0.0073 0.4148 0.237 Uiso 1 1 calc R U .
C22 C 0.7864(5) -0.1378(5) 0.47978(15) 0.139(3) Uani 1 1 d D U .
C23 C 0.8791(3) 0.3054(4) 0.33334(17) 0.194(4) Uani 1 1 d D U .
C24 C 0.9169(4) 0.3404(4) 0.29188(14) 0.189(4) Uani 1 1 d D U .
C25 C 0.9445(4) 0.3049(4) 0.28745(15) 0.181(4) Uani 1 1 d D U .
H25 H 0.9484 0.2814 0.2999 0.217 Uiso 1 1 calc R U .
C26 C 0.9668(4) 0.3032(4) 0.26481(13) 0.185(4) Uani 1 1 d D U .
H26 H 0.9857 0.2789 0.2621 0.222 Uiso 1 1 calc R U .
C27 C 0.9613(4) 0.3380(4) 0.24584(12) 0.133(3) Uani 1 1 d D U .
C28 C 0.9352(5) 0.3748(5) 0.25010(13) 0.185(4) Uani 1 1 d D U .
H28 H 0.9339 0.3998 0.2377 0.222 Uiso 1 1 calc R U .
C29 C 0.9102(5) 0.3762(5) 0.27290(16) 0.196(5) Uani 1 1 d D U .
H29 H 0.8901 0.3995 0.2755 0.235 Uiso 1 1 calc R U .
C30 C 0.9849(5) 0.3356(5) 0.22118(14) 0.133(3) Uani 1 1 d D U .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In 0.0822 5.0449 '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
O10 In1 O12 180.0 . .
O10 In1 O2 96.36(19) . 6_556
O12 In1 O2 83.64(19) . 6_556
O10 In1 O2 96.37(19) . .
O12 In1 O2 83.63(19) . .
O2 In1 O2 167.3(4) 6_556 .
O10 In1 O5 93.86(16) . 4_565
O12 In1 O5 86.14(16) . 4_565
O2 In1 O5 89.6(2) 6_556 4_565
O2 In1 O5 89.5(2) . 4_565
O10 In1 O5 93.86(16) . 2_655
O12 In1 O5 86.14(16) . 2_655
O2 In1 O5 89.5(2) 6_556 2_655
O2 In1 O5 89.6(2) . 2_655
O5 In1 O5 172.3(3) 4_565 2_655
O10 In2 O11 178.2(2) . .
O10 In2 O4 89.60(19) . 1_565
O11 In2 O4 88.6(2) . 1_565
O10 In2 O3 93.00(17) . 6_656
O11 In2 O3 87.0(2) . 6_656
O4 In2 O3 93.8(2) 1_565 6_656
O10 In2 O1 97.1(2) . .
O11 In2 O1 84.7(2) . .
O4 In2 O1 172.48(19) 1_565 .
O3 In2 O1 89.3(2) 6_656 .
O10 In2 O6 92.67(19) . 4_565
O11 In2 O6 87.4(2) . 4_565
O4 In2 O6 88.2(3) 1_565 4_565
O3 In2 O6 174.0(2) 6_656 4_565
O1 In2 O6 88.1(3) . 4_565
C1 O1 In2 134.7(6) . .
C1 O2 In1 130.5(6) . .
C22 O3 In2 128.2(6) . 6_546
C22 O4 In2 141.4(6) . 1_545
C30 O5 In1 128.7(5) . 3_664
C30 O6 In2 133.3(5) . 4_665
In2 O10 In2 123.7(3) . 6_556
In2 O10 In1 118.14(17) . .
In2 O10 In1 118.14(17) 6_556 .
C8 N1 C5 128.0(9) . .
C8 N1 H1N 116.0 . .
C5 N1 H1N 116.0 . .
C8 N2 C9 128.6(9) . .
C8 N2 H2N 115.7 . .
C9 N2 H2N 115.7 . .
C16 N3 C15 130.6(11) . .
C16 N3 H3N 114.7 . .
C15 N3 H3N 114.7 . .
C15 N4 C11 121.2(11) . .
C15 N4 H4N 119.4 . .
C11 N4 H4N 119.4 . .
C23 N5 C13 127.9(10) . .
C23 N5 H5N 116.0 . .
C13 N5 H5N 116.0 . .
C23 N6 C24 126.2(8) . .
C23 N6 H6N 116.9 . .
C24 N6 H6N 116.9 . .
O1 C1 O2 128.6(8) . .
O1 C1 C2 114.6(9) . .
O2 C1 C2 116.8(9) . .
C3 C2 C7 123.1(8) . .
C3 C2 C1 117.8(9) . .
C7 C2 C1 118.6(9) . .
C2 C3 C4 120.8(9) . .
C2 C3 H3 119.6 . .
C4 C3 H3 119.6 . .
C3 C4 C5 115.9(9) . .
C3 C4 H4 122.0 . .
C5 C4 H4 122.0 . .
C6 C5 N1 120.9(10) . .
C6 C5 C4 123.5(9) . .
N1 C5 C4 115.5(10) . .
C5 C6 C7 118.4(9) . .
C5 C6 H6 120.8 . .
C7 C6 H6 120.8 . .
C2 C7 C6 118.1(9) . .
C2 C7 H7 120.9 . .
C6 C7 H7 120.9 . .
O8 C8 N1 122.8(9) . .
O8 C8 N2 124.9(9) . .
N1 C8 N2 112.2(8) . .
N2 C9 C14 121.5(11) . .
N2 C9 C10 116.8(11) . .
C14 C9 C10 121.2(9) . .
C9 C10 C11 118.9(9) . .
C9 C10 H10 120.6 . .
C11 C10 H10 120.6 . .
C12 C11 C10 121.7(10) . .
C12 C11 N4 109.7(11) . .
C10 C11 N4 128.5(12) . .
C11 C12 C13 117.3(9) . .
C11 C12 H12 121.4 . .
C13 C12 H12 121.4 . .
C14 C13 N5 117.0(12) . .
C14 C13 C12 121.9(9) . .
N5 C13 C12 121.0(12) . .
C13 C14 C9 119.0(10) . .
C13 C14 H14 120.5 . .
C9 C14 H14 120.5 . .
O7 C15 N3 124.0(11) . .
O7 C15 N4 125.8(11) . .
N3 C15 N4 110.2(9) . .
N3 C16 C17 123.7(11) . .
N3 C16 C21 112.4(10) . .
C17 C16 C21 123.7(9) . .
C16 C17 C18 116.2(9) . .
C16 C17 H17 121.9 . .
C18 C17 H17 121.9 . .
C19 C18 C17 123.1(8) . .
C19 C18 H18 118.5 . .
C17 C18 H18 118.5 . .
C18 C19 C20 120.5(8) . .
C18 C19 C22 120.7(8) . .
C20 C19 C22 118.8(8) . .
C21 C20 C19 119.3(9) . .
C21 C20 H20 120.3 . .
C19 C20 H20 120.3 . .
C20 C21 C16 117.1(9) . .
C20 C21 H21 121.5 . .
C16 C21 H21 121.5 . .
O4 C22 O3 123.8(9) . .
O4 C22 C19 118.9(8) . .
O3 C22 C19 116.2(8) . .
O9 C23 N6 123.7(9) . .
O9 C23 N5 123.2(9) . .
N6 C23 N5 113.1(8) . .
C25 C24 N6 125.4(9) . .
C25 C24 C29 120.0(7) . .
N6 C24 C29 114.5(9) . .
C24 C25 C26 120.8(8) . .
C24 C25 H25 119.6 . .
C26 C25 H25 119.6 . .
C25 C26 C27 120.6(8) . .
C25 C26 H26 119.7 . .
C27 C26 H26 119.7 . .
C28 C27 C26 119.3(7) . .
C28 C27 C30 120.2(8) . .
C26 C27 C30 120.5(8) . .
C27 C28 C29 121.5(8) . .
C27 C28 H28 119.2 . .
C29 C28 H28 119.2 . .
C28 C29 C24 117.6(8) . .
C28 C29 H29 121.2 . .
C24 C29 H29 121.2 . .
O5 C30 O6 131.0(8) . .
O5 C30 C27 117.1(8) . .
O6 C30 C27 111.9(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
In1 O10 2.127(7) .
In1 O12 2.148(8) .
In1 O2 2.179(5) 6_556
In1 O2 2.179(5) .
In1 O5 2.192(4) 4_565
In1 O5 2.192(4) 2_655
In2 O10 1.982(3) .
In2 O11 2.084(5) .
In2 O4 2.104(5) 1_565
In2 O3 2.136(5) 6_656
In2 O1 2.149(6) .
In2 O6 2.163(6) 4_565
O1 C1 1.251(10) .
O2 C1 1.258(11) .
O3 C22 1.291(9) .
O3 In2 2.136(5) 6_546
O4 C22 1.246(9) .
O4 In2 2.104(5) 1_545
O5 C30 1.239(9) .
O5 In1 2.192(4) 3_664
O6 C30 1.277(9) .
O6 In2 2.163(6) 4_665
O7 C15 1.209(9) .
O8 C8 1.217(8) .
O9 C23 1.240(9) .
O10 In2 1.982(3) 6_556
N1 C8 1.375(8) .
N1 C5 1.407(8) .
N1 H1N 0.8600 .
N2 C8 1.380(9) .
N2 C9 1.382(8) .
N2 H2N 0.8600 .
N3 C16 1.383(9) .
N3 C15 1.385(10) .
N3 H3N 0.8600 .
N4 C15 1.411(9) .
N4 C11 1.431(9) .
N4 H4N 0.8600 .
N5 C23 1.361(9) .
N5 C13 1.399(9) .
N5 H5N 0.8600 .
N6 C23 1.358(9) .
N6 C24 1.408(8) .
N6 H6N 0.8600 .
C1 C2 1.490(10) .
C2 C3 1.370(11) .
C2 C7 1.372(10) .
C3 C4 1.417(11) .
C3 H3 0.9300 .
C4 C5 1.418(11) .
C4 H4 0.9300 .
C5 C6 1.377(12) .
C6 C7 1.436(11) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C9 C14 1.387(12) .
C9 C10 1.397(12) .
C10 C11 1.410(12) .
C10 H10 0.9300 .
C11 C12 1.384(12) .
C12 C13 1.434(13) .
C12 H12 0.9300 .
C13 C14 1.382(12) .
C14 H14 0.9300 .
C16 C17 1.383(11) .
C16 C21 1.429(12) .
C17 C18 1.406(11) .
C17 H17 0.9300 .
C18 C19 1.337(10) .
C18 H18 0.9300 .
C19 C20 1.434(10) .
C19 C22 1.485(10) .
C20 C21 1.396(11) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C24 C25 1.361(11) .
C24 C29 1.428(11) .
C25 C26 1.377(9) .
C25 H25 0.9300 .
C26 C27 1.400(9) .
C26 H26 0.9300 .
C27 C28 1.357(10) .
C27 C30 1.497(9) .
C28 C29 1.413(9) .
C28 H28 0.9300 .
C29 H29 0.9300 .
