#------------------------------------------------------------------------------
#$Date: 2023-04-13 15:19:33 +0300 (Thu, 13 Apr 2023) $
#$Revision: 282621 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/24/7712473.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_7712473
loop_
_publ_author_name
'Novák, Miroslav'
'Turek, Jan'
'Milasheuskaya, Yaraslava'
'Syková, Miriam'
'Dostál, Libor'
'Stalmans, Jesse'
'R°užičková, Zdeňka'
'Jurkschat, Klaus'
'Jambor, Roman'
_publ_section_title
;
 Tin(ii) cations stabilized by non-symmetric N,N′,O-chelating
 ligands: synthesis and stability
;
_journal_issue                   9
_journal_name_full               'Dalton Transactions'
_journal_page_first              2749
_journal_page_last               2761
_journal_paper_doi               10.1039/D2DT03563D
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'C30 H31 Cl N2 O P Sn, Cl3 Sn'
_chemical_formula_sum            'C30 H31 Cl4 N2 O P Sn2'
_chemical_formula_weight         845.72
_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-2014/7
_audit_update_record
;
2022-06-27 deposited with the CCDC.	2023-02-03 downloaded from the CCDC.
;
_cell_angle_alpha                73.940(2)
_cell_angle_beta                 82.797(2)
_cell_angle_gamma                72.263(2)
_cell_formula_units_Z            2
_cell_length_a                   8.6557(5)
_cell_length_b                   13.0223(7)
_cell_length_c                   16.2740(8)
_cell_measurement_reflns_used    53897
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1
_cell_volume                     1677.28(16)
_computing_cell_refinement       'APEX3 v2016.5-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service vV6.2.3'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_molecular_graphics    'Platon (Spek, 2009)'
_computing_publication_material  'Platon (Spek, 2009)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'XT, VERSION 2014/5'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0452
_diffrn_reflns_av_unetI/netI     0.0257
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            53897
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.583
_diffrn_reflns_theta_min         2.387
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.881
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.3185
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.675
_exptl_crystal_description       needle
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.593
_exptl_crystal_size_mid          0.166
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.433
_refine_diff_density_min         -0.857
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         7715
_refine_ls_number_restraints     330
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0235
_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)+(0.0223P)²+1.8276P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0544
_refine_ls_wR_factor_ref         0.0575
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6699
_reflns_number_total             7715
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt03563d4.cif
_cod_data_source_block           1
_cod_database_code               7712473
#BEGIN Tags that were not found in dictionaries:
_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.
;
_exptl_absorpt_special_details
;
The ratio of minimum to maximum
apparent transmission was 0.427
;
#END Tags that were not found in dictionaries
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
Sn1 Sn 0.58447(2) 0.48267(2) 0.14093(2) 0.01526(4) Uani 1 1 d . U . . .
Cl1 Cl 0.32866(7) 0.56669(6) 0.06617(4) 0.02598(14) Uani 1 1 d . U . . .
P1 P 0.45445(7) 0.25640(5) 0.20859(3) 0.01270(11) Uani 1 1 d . U . . .
O1 O 0.57966(19) 0.30670(14) 0.15268(10) 0.0165(3) Uani 1 1 d . U . . .
N1 N 0.4092(2) 0.43678(15) 0.26511(11) 0.0121(4) Uani 1 1 d . U . . .
C1 C 0.3578(3) 0.50426(18) 0.31896(14) 0.0139(4) Uani 1 1 d . U . . .
Sn2 Sn 0.80020(2) 0.17173(2) 0.45919(2) 0.01896(5) Uani 1 1 d . U . . .
Cl2 Cl 0.77932(8) 0.33654(5) 0.33226(4) 0.02857(14) Uani 1 1 d . U . . .
N2 N 0.4819(2) 0.63366(16) 0.22460(12) 0.0149(4) Uani 1 1 d . U . . .
C2 C 0.2686(3) 0.4754(2) 0.39467(14) 0.0181(5) Uani 1 1 d . U . . .
H2 H 0.2347 0.5237 0.4318 0.022 Uiso 1 1 calc R U . . .
C3 C 0.2296(3) 0.3753(2) 0.41528(14) 0.0193(5) Uani 1 1 d . U . . .
H3 H 0.1675 0.3548 0.4663 0.023 Uiso 1 1 calc R U . . .
Cl3 Cl 0.90086(9) 0.25985(6) 0.55228(4) 0.03065(15) Uani 1 1 d . U . . .
Cl4 Cl 1.07684(7) 0.08324(5) 0.40738(4) 0.02495(13) Uani 1 1 d . U . . .
C4 C 0.2825(3) 0.3054(2) 0.36040(14) 0.0167(5) Uani 1 1 d . U . . .
H4 H 0.2582 0.2361 0.3733 0.020 Uiso 1 1 calc R U . . .
C5 C 0.3720(3) 0.33947(18) 0.28592(13) 0.0123(4) Uani 1 1 d . U . . .
C6 C 0.4018(3) 0.60957(19) 0.29450(14) 0.0163(4) Uani 1 1 d . U . . .
H6 H 0.3704 0.6592 0.3307 0.020 Uiso 1 1 calc R U . . .
C7 C 0.5336(3) 0.73371(19) 0.20024(14) 0.0153(4) Uani 1 1 d . U . . .
C8 C 0.4275(3) 0.8348(2) 0.15766(15) 0.0197(5) Uani 1 1 d . U . . .
C9 C 0.4900(3) 0.9270(2) 0.12973(16) 0.0246(5) Uani 1 1 d . U . . .
H9 H 0.4225 0.9964 0.0997 0.029 Uiso 1 1 calc R U . . .
C10 C 0.6471(3) 0.9193(2) 0.14486(16) 0.0257(5) Uani 1 1 d . U . . .
H10 H 0.6861 0.9831 0.1257 0.031 Uiso 1 1 calc R U . . .
C11 C 0.7481(3) 0.8185(2) 0.18796(15) 0.0223(5) Uani 1 1 d . U . . .
H11 H 0.8553 0.8143 0.1991 0.027 Uiso 1 1 calc R U . . .
C12 C 0.6948(3) 0.7231(2) 0.21526(14) 0.0175(5) Uani 1 1 d . U . . .
C13 C 0.2509(3) 0.8475(2) 0.14502(17) 0.0258(5) Uani 1 1 d . U . . .
H13 H 0.2327 0.7721 0.1650 0.031 Uiso 1 1 calc R U . . .
C14 C 0.2081(4) 0.8950(3) 0.0504(2) 0.0397(7) Uani 1 1 d . U . . .
H14A H 0.2246 0.9693 0.0296 0.060 Uiso 1 1 calc R U . . .
H14B H 0.0943 0.9004 0.0449 0.060 Uiso 1 1 calc R U . . .
H14C H 0.2781 0.8457 0.0165 0.060 Uiso 1 1 calc R U . . .
C15 C 0.1397(4) 0.9216(3) 0.1999(2) 0.0397(7) Uani 1 1 d . U . . .
H15A H 0.1601 0.9947 0.1835 0.060 Uiso 1 1 calc R U . . .
H15B H 0.1619 0.8867 0.2604 0.060 Uiso 1 1 calc R U . . .
H15C H 0.0261 0.9305 0.1908 0.060 Uiso 1 1 calc R U . . .
C16 C 0.8052(3) 0.6125(2) 0.26202(15) 0.0194(5) Uani 1 1 d . U . . .
H16 H 0.7562 0.5530 0.2598 0.023 Uiso 1 1 calc R U . . .
C17 C 0.9762(3) 0.5855(3) 0.2198(2) 0.0392(7) Uani 1 1 d . U . . .
H17A H 0.9685 0.5922 0.1588 0.059 Uiso 1 1 calc R U . . .
H17B H 1.0372 0.5092 0.2474 0.059 Uiso 1 1 calc R U . . .
H17C H 1.0322 0.6377 0.2261 0.059 Uiso 1 1 calc R U . . .
C18 C 0.8123(4) 0.6080(3) 0.35610(17) 0.0330(6) Uani 1 1 d . U . . .
H18A H 0.8678 0.6613 0.3609 0.049 Uiso 1 1 calc R U . . .
H18B H 0.8720 0.5327 0.3865 0.049 Uiso 1 1 calc R U . . .
H18C H 0.7018 0.6272 0.3814 0.049 Uiso 1 1 calc R U . . .
C19 C 0.5415(3) 0.11777(19) 0.26942(14) 0.0164(4) Uani 1 1 d . U . . .
C20 C 0.7048(3) 0.0846(2) 0.28944(16) 0.0232(5) Uani 1 1 d . U . . .
H20 H 0.7707 0.1333 0.2665 0.028 Uiso 1 1 calc R U . . .
C21 C 0.7704(4) -0.0198(2) 0.34303(17) 0.0288(6) Uani 1 1 d . U . . .
H21 H 0.8812 -0.0427 0.3568 0.035 Uiso 1 1 calc R U . . .
C22 C 0.6737(4) -0.0904(2) 0.37641(17) 0.0331(6) Uani 1 1 d . U . . .
H22 H 0.7182 -0.1608 0.4143 0.040 Uiso 1 1 calc R U . . .
C23 C 0.5130(4) -0.0595(2) 0.35522(18) 0.0330(6) Uani 1 1 d . U . . .
H23 H 0.4485 -0.1093 0.3775 0.040 Uiso 1 1 calc R U . . .
C24 C 0.4465(3) 0.0444(2) 0.30121(16) 0.0239(5) Uani 1 1 d . U . . .
H24 H 0.3367 0.0656 0.2859 0.029 Uiso 1 1 calc R U . . .
C25 C 0.2919(3) 0.26028(19) 0.14877(14) 0.0159(4) Uani 1 1 d . U . . .
C26 C 0.1349(3) 0.2642(2) 0.18323(16) 0.0226(5) Uani 1 1 d . U . . .
H26 H 0.1085 0.2660 0.2414 0.027 Uiso 1 1 calc R U . . .
C27 C 0.0172(3) 0.2653(2) 0.13183(18) 0.0284(6) Uani 1 1 d . U . . .
H27 H -0.0900 0.2680 0.1549 0.034 Uiso 1 1 calc R U . . .
C28 C 0.0556(4) 0.2625(2) 0.04737(19) 0.0323(6) Uani 1 1 d . U . . .
H28 H -0.0251 0.2630 0.0126 0.039 Uiso 1 1 calc R U . . .
C29 C 0.2115(4) 0.2589(3) 0.01301(18) 0.0352(7) Uani 1 1 d . U . . .
H29 H 0.2371 0.2570 -0.0451 0.042 Uiso 1 1 calc R U . . .
C30 C 0.3298(3) 0.2582(2) 0.06322(16) 0.0256(5) Uani 1 1 d . U . . .
H30 H 0.4364 0.2562 0.0395 0.031 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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
O1 Sn1 N1 73.80(6) . . ?
O1 Sn1 Cl1 93.45(4) . . ?
N1 Sn1 Cl1 83.95(4) . . ?
O1 Sn1 N2 139.21(6) . . ?
N1 Sn1 N2 65.67(6) . . ?
Cl1 Sn1 N2 86.87(4) . . ?
O1 P1 C19 112.47(10) . . ?
O1 P1 C25 112.39(10) . . ?
C19 P1 C25 110.09(11) . . ?
O1 P1 C5 106.60(10) . . ?
C19 P1 C5 106.20(10) . . ?
C25 P1 C5 108.77(10) . . ?
P1 O1 Sn1 122.64(9) . . ?
C5 N1 C1 118.47(19) . . ?
C5 N1 Sn1 120.76(14) . . ?
C1 N1 Sn1 120.54(15) . . ?
N1 C1 C2 121.8(2) . . ?
N1 C1 C6 117.01(19) . . ?
C2 C1 C6 121.2(2) . . ?
Cl4 Sn2 Cl3 93.42(2) . . ?
Cl4 Sn2 Cl2 89.80(2) . . ?
Cl3 Sn2 Cl2 93.04(2) . . ?
C6 N2 C7 121.1(2) . . ?
C6 N2 Sn1 116.79(15) . . ?
C7 N2 Sn1 121.45(14) . . ?
C3 C2 C1 119.3(2) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
C2 C3 C4 119.2(2) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 H3 120.4 . . ?
C3 C4 C5 118.4(2) . . ?
C3 C4 H4 120.8 . . ?
C5 C4 H4 120.8 . . ?
N1 C5 C4 122.9(2) . . ?
N1 C5 P1 113.21(15) . . ?
C4 C5 P1 123.91(17) . . ?
N2 C6 C1 119.5(2) . . ?
N2 C6 H6 120.3 . . ?
C1 C6 H6 120.3 . . ?
C12 C7 C8 122.7(2) . . ?
C12 C7 N2 117.3(2) . . ?
C8 C7 N2 119.8(2) . . ?
C9 C8 C7 116.8(2) . . ?
C9 C8 C13 120.5(2) . . ?
C7 C8 C13 122.7(2) . . ?
C10 C9 C8 121.7(2) . . ?
C10 C9 H9 119.2 . . ?
C8 C9 H9 119.2 . . ?
C9 C10 C11 120.1(2) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 C12 121.0(2) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C11 C12 C7 117.7(2) . . ?
C11 C12 C16 121.2(2) . . ?
C7 C12 C16 121.1(2) . . ?
C8 C13 C15 109.8(2) . . ?
C8 C13 C14 112.0(2) . . ?
C15 C13 C14 110.5(2) . . ?
C8 C13 H13 108.2 . . ?
C15 C13 H13 108.2 . . ?
C14 C13 H13 108.2 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C16 C18 111.0(2) . . ?
C12 C16 C17 112.9(2) . . ?
C18 C16 C17 110.9(2) . . ?
C12 C16 H16 107.2 . . ?
C18 C16 H16 107.2 . . ?
C17 C16 H16 107.2 . . ?
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 . . ?
C24 C19 C20 119.9(2) . . ?
C24 C19 P1 120.84(18) . . ?
C20 C19 P1 119.19(19) . . ?
C21 C20 C19 119.8(3) . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
C22 C21 C20 119.9(3) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C21 C22 C23 120.9(2) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
C22 C23 C24 119.7(3) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C23 C24 C19 119.9(3) . . ?
C23 C24 H24 120.1 . . ?
C19 C24 H24 120.1 . . ?
C26 C25 C30 120.0(2) . . ?
C26 C25 P1 123.76(18) . . ?
C30 C25 P1 116.20(18) . . ?
C27 C26 C25 119.5(2) . . ?
C27 C26 H26 120.2 . . ?
C25 C26 H26 120.2 . . ?
C28 C27 C26 120.2(3) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C27 C28 C29 120.4(2) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 H28 119.8 . . ?
C30 C29 C28 120.2(3) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
C29 C30 C25 119.7(3) . . ?
C29 C30 H30 120.1 . . ?
C25 C30 H30 120.1 . . ?
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
Sn1 O1 2.2589(17) . ?
Sn1 N1 2.4201(18) . ?
Sn1 Cl1 2.4582(6) . ?
Sn1 N2 2.5735(19) . ?
P1 O1 1.5123(17) . ?
P1 C19 1.782(2) . ?
P1 C25 1.789(2) . ?
P1 C5 1.822(2) . ?
N1 C5 1.345(3) . ?
N1 C1 1.352(3) . ?
C1 C2 1.392(3) . ?
C1 C6 1.470(3) . ?
Sn2 Cl4 2.4744(6) . ?
Sn2 Cl3 2.5046(7) . ?
Sn2 Cl2 2.5121(7) . ?
N2 C6 1.269(3) . ?
N2 C7 1.442(3) . ?
C2 C3 1.387(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.389(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.394(3) . ?
C4 H4 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.405(3) . ?
C7 C8 1.406(3) . ?
C8 C9 1.404(4) . ?
C8 C13 1.521(4) . ?
C9 C10 1.381(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.387(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.395(3) . ?
C11 H11 0.9500 . ?
C12 C16 1.519(3) . ?
C13 C15 1.532(4) . ?
C13 C14 1.538(4) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C18 1.524(3) . ?
C16 C17 1.532(4) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C24 1.398(4) . ?
C19 C20 1.399(3) . ?
C20 C21 1.389(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.384(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.386(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.389(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.396(3) . ?
C25 C30 1.396(3) . ?
C26 C27 1.392(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.381(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.386(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.385(4) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
