#------------------------------------------------------------------------------
#$Date: 2021-10-06 16:55:35 +0300 (Wed, 06 Oct 2021) $
#$Revision: 269637 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/88/7128889.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_7128889
loop_
_publ_author_name
'Dhara, Debabrata'
'Pal, Pradeep Kumar'
'Dolai, Ramapada'
'Chrysochos, Nicolas'
'Rawat, Hemant'
'Elvers, Benedict J.'
'Krummenacher, Ivo'
'Braunschweig, Holger'
'Schulzke, Carola'
'Chandrasekhar, Vadapalli'
'Priyakumar, U. Deva'
'Jana, Anukul'
_publ_section_title
;
 Synthesis and reactivity of NHC-coordinated phosphinidene oxide.
;
_journal_issue                   75
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              9546
_journal_page_last               9549
_journal_paper_doi               10.1039/d1cc04421d
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C31 H37 N2 O2 P'
_chemical_formula_sum            'C31 H37 N2 O2 P'
_chemical_formula_weight         500.59
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-08-04 deposited with the CCDC.	2021-08-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.903(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.0017(10)
_cell_length_b                   14.1141(8)
_cell_length_c                   14.6959(11)
_cell_measurement_reflns_used    3702
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.6930
_cell_measurement_theta_min      3.0910
_cell_volume                     2730.8(4)
_computing_cell_refinement       'CrysAlisPro 1.171.39.29d (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.29d (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.29d (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'CIFTAB (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT-2018 (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.822
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0580
_diffrn_reflns_av_unetI/netI     0.0722
_diffrn_reflns_Laue_measured_fraction_full 0.966
_diffrn_reflns_Laue_measured_fraction_max 0.822
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            18615
_diffrn_reflns_point_group_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.822
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.021
_diffrn_reflns_theta_min         2.474
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.131
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.71348
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.29d (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.218
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.140
_refine_diff_density_max         0.295
_refine_diff_density_min         -0.266
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         5983
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.1066
_refine_ls_R_factor_gt           0.0609
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0697P)²+0.5832P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1371
_refine_ls_wR_factor_ref         0.1558
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3776
_reflns_number_total             5983
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc04421d2.cif
_cod_data_source_block           AJ1003
_cod_depositor_comments
'Adding full bibliography for 7128887--7128892.cif.'
_cod_original_cell_volume        2730.8(3)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7128889
_shelx_shelxl_version_number     2018/3
_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   0.968
_shelx_estimated_absorpt_t_max   0.982
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_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
P1 P 0.52548(4) 0.72458(4) 0.44640(4) 0.04074(18) Uani 1 1 d . . . . .
O1 O 0.59244(12) 0.64089(12) 0.46368(12) 0.0553(4) Uani 1 1 d . . . . .
O2 O 0.55871(12) 0.81356(12) 0.50064(11) 0.0548(4) Uani 1 1 d . . . . .
N1 N 0.36347(13) 0.59987(12) 0.44258(12) 0.0408(4) Uani 1 1 d . . . . .
N2 N 0.36871(13) 0.72009(12) 0.53400(13) 0.0410(4) Uani 1 1 d . . . . .
C1 C 0.41365(16) 0.68127(15) 0.47500(15) 0.0380(5) Uani 1 1 d . . . . .
C2 C 0.28852(16) 0.66410(17) 0.53578(16) 0.0453(5) Uani 1 1 d . . . . .
C3 C 0.28541(16) 0.58812(16) 0.47919(16) 0.0429(5) Uani 1 1 d . . . . .
C4 C 0.38721(18) 0.53066(16) 0.37895(17) 0.0505(6) Uani 1 1 d . . . . .
H4A H 0.334032 0.530700 0.317002 0.076 Uiso 1 1 calc R U . . .
H4B H 0.392761 0.468696 0.407221 0.076 Uiso 1 1 calc R U . . .
H4C H 0.450371 0.547285 0.370961 0.076 Uiso 1 1 calc R U . . .
C5 C 0.21674(18) 0.50491(18) 0.45513(19) 0.0566(6) Uani 1 1 d . . . . .
H5A H 0.186062 0.499693 0.386130 0.085 Uiso 1 1 calc R U . . .
H5B H 0.164697 0.512611 0.483408 0.085 Uiso 1 1 calc R U . . .
H5C H 0.254980 0.448538 0.480273 0.085 Uiso 1 1 calc R U . . .
C6 C 0.2212(2) 0.6911(2) 0.5911(2) 0.0660(7) Uani 1 1 d . . . . .
H6A H 0.260229 0.693622 0.658851 0.099 Uiso 1 1 calc R U . . .
H6B H 0.168103 0.644954 0.580153 0.099 Uiso 1 1 calc R U . . .
H6C H 0.191845 0.752169 0.569854 0.099 Uiso 1 1 calc R U . . .
C7 C 0.39868(19) 0.80710(18) 0.59001(18) 0.0562(6) Uani 1 1 d . . . . .
H7A H 0.425269 0.791991 0.657707 0.084 Uiso 1 1 calc R U . . .
H7B H 0.340617 0.847694 0.577655 0.084 Uiso 1 1 calc R U . . .
H7C H 0.449884 0.838906 0.571548 0.084 Uiso 1 1 calc R U . . .
C8 C 0.47098(16) 0.74562(15) 0.31489(15) 0.0395(5) Uani 1 1 d . . . . .
C9 C 0.37378(17) 0.78651(15) 0.26953(16) 0.0425(5) Uani 1 1 d . . . . .
C10 C 0.3324(2) 0.78799(17) 0.16939(18) 0.0555(6) Uani 1 1 d . . . . .
H10 H 0.267185 0.811801 0.139918 0.067 Uiso 1 1 calc R U . . .
C11 C 0.3851(2) 0.7553(2) 0.11323(19) 0.0657(7) Uani 1 1 d . . . . .
H11 H 0.355231 0.754808 0.046199 0.079 Uiso 1 1 calc R U . . .
C12 C 0.4832(2) 0.72306(19) 0.15639(19) 0.0610(7) Uani 1 1 d . . . . .
H12 H 0.520761 0.704901 0.117880 0.073 Uiso 1 1 calc R U . . .
C13 C 0.52685(17) 0.71722(16) 0.25649(16) 0.0456(5) Uani 1 1 d . . . . .
C14 C 0.63687(18) 0.6874(2) 0.29392(16) 0.0522(6) Uani 1 1 d . . . . .
C15 C 0.6647(2) 0.5933(2) 0.28482(19) 0.0612(7) Uani 1 1 d . . . . .
C16 C 0.7674(2) 0.5719(3) 0.3109(2) 0.0763(9) Uani 1 1 d . . . . .
H16 H 0.786084 0.509441 0.305595 0.092 Uiso 1 1 calc R U . . .
C17 C 0.8425(2) 0.6387(3) 0.3441(2) 0.0836(10) Uani 1 1 d . . . . .
C18 C 0.8139(2) 0.7303(3) 0.3521(2) 0.0778(10) Uani 1 1 d . . . . .
H18 H 0.863733 0.776501 0.374649 0.093 Uiso 1 1 calc R U . . .
C19 C 0.7118(2) 0.7563(2) 0.32735(18) 0.0608(7) Uani 1 1 d . . . . .
C20 C 0.6847(3) 0.8576(2) 0.3373(2) 0.0839(10) Uani 1 1 d . . . . .
H20A H 0.629768 0.876444 0.280429 0.126 Uiso 1 1 calc R U . . .
H20B H 0.742613 0.897178 0.344653 0.126 Uiso 1 1 calc R U . . .
H20C H 0.664247 0.864177 0.393034 0.126 Uiso 1 1 calc R U . . .
C21 C 0.9534(2) 0.6106(4) 0.3745(3) 0.1323(17) Uani 1 1 d . . . . .
H21A H 0.966817 0.582564 0.320491 0.198 Uiso 1 1 calc R U . . .
H21B H 0.968555 0.565635 0.426472 0.198 Uiso 1 1 calc R U . . .
H21C H 0.995215 0.665773 0.395625 0.198 Uiso 1 1 calc R U . . .
C22 C 0.5882(2) 0.5151(2) 0.2541(2) 0.0810(9) Uani 1 1 d . . . . .
H22A H 0.584539 0.482738 0.310283 0.121 Uiso 1 1 calc R U . . .
H22B H 0.608147 0.471167 0.213976 0.121 Uiso 1 1 calc R U . . .
H22C H 0.522839 0.541131 0.218305 0.121 Uiso 1 1 calc R U . . .
C23 C 0.31206(17) 0.83367(15) 0.32223(16) 0.0456(6) Uani 1 1 d . . . . .
C24 C 0.34012(19) 0.92392(17) 0.36332(18) 0.0537(6) Uani 1 1 d . . . . .
C25 C 0.2795(2) 0.96850(19) 0.4078(2) 0.0680(8) Uani 1 1 d . . . . .
H25 H 0.298441 1.027996 0.435182 0.082 Uiso 1 1 calc R U . . .
C26 C 0.1919(2) 0.9276(2) 0.4129(2) 0.0704(8) Uani 1 1 d . . . . .
C27 C 0.16216(19) 0.8423(2) 0.3664(2) 0.0642(7) Uani 1 1 d . . . . .
H27 H 0.101857 0.815045 0.366953 0.077 Uiso 1 1 calc R U . . .
C28 C 0.21888(17) 0.79489(17) 0.31861(18) 0.0500(6) Uani 1 1 d . . . . .
C29 C 0.17789(19) 0.70506(17) 0.2645(2) 0.0574(7) Uani 1 1 d . . . . .
H29A H 0.142153 0.719562 0.197719 0.086 Uiso 1 1 calc R U . . .
H29B H 0.132263 0.675479 0.292022 0.086 Uiso 1 1 calc R U . . .
H29C H 0.233069 0.662756 0.269270 0.086 Uiso 1 1 calc R U . . .
C30 C 0.1324(3) 0.9730(3) 0.4703(3) 0.1032(12) Uani 1 1 d . . . . .
H30A H 0.063653 0.950423 0.446829 0.155 Uiso 1 1 calc R U . . .
H30B H 0.132836 1.040599 0.463132 0.155 Uiso 1 1 calc R U . . .
H30C H 0.163073 0.956770 0.537467 0.155 Uiso 1 1 calc R U . . .
C31 C 0.4326(2) 0.97397(17) 0.3581(2) 0.0695(8) Uani 1 1 d . . . . .
H31A H 0.492489 0.943173 0.400227 0.104 Uiso 1 1 calc R U . . .
H31B H 0.431816 1.038704 0.377883 0.104 Uiso 1 1 calc R U . . .
H31C H 0.432757 0.972074 0.292844 0.104 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'
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'
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
O2 P1 O1 121.57(10) . . ?
O2 P1 C8 111.78(10) . . ?
O1 P1 C8 108.74(10) . . ?
O2 P1 C1 107.04(10) . . ?
O1 P1 C1 103.46(9) . . ?
C8 P1 C1 102.13(9) . . ?
C1 N1 C3 110.55(17) . . ?
C1 N1 C4 126.14(18) . . ?
C3 N1 C4 123.29(18) . . ?
C1 N2 C2 109.88(18) . . ?
C1 N2 C7 126.68(18) . . ?
C2 N2 C7 123.44(18) . . ?
N1 C1 N2 105.82(17) . . ?
N1 C1 P1 125.40(15) . . ?
N2 C1 P1 128.71(16) . . ?
C3 C2 N2 107.41(19) . . ?
C3 C2 C6 130.3(2) . . ?
N2 C2 C6 122.3(2) . . ?
C2 C3 N1 106.30(19) . . ?
C2 C3 C5 131.2(2) . . ?
N1 C3 C5 122.5(2) . . ?
N1 C4 H4A 109.5 . . ?
N1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C2 C6 H6A 109.5 . . ?
C2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N2 C7 H7A 109.5 . . ?
N2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C13 C8 C9 118.3(2) . . ?
C13 C8 P1 118.51(16) . . ?
C9 C8 P1 123.13(17) . . ?
C10 C9 C8 119.5(2) . . ?
C10 C9 C23 115.8(2) . . ?
C8 C9 C23 124.6(2) . . ?
C11 C10 C9 121.4(2) . . ?
C11 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
C10 C11 C12 119.6(2) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
C11 C12 C13 121.1(2) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 H12 119.5 . . ?
C12 C13 C8 119.7(2) . . ?
C12 C13 C14 115.4(2) . . ?
C8 C13 C14 124.7(2) . . ?
C19 C14 C15 119.6(2) . . ?
C19 C14 C13 119.2(2) . . ?
C15 C14 C13 120.7(2) . . ?
C16 C15 C14 118.4(3) . . ?
C16 C15 C22 119.3(3) . . ?
C14 C15 C22 122.2(2) . . ?
C17 C16 C15 122.9(3) . . ?
C17 C16 H16 118.5 . . ?
C15 C16 H16 118.5 . . ?
C18 C17 C16 117.9(3) . . ?
C18 C17 C21 121.5(4) . . ?
C16 C17 C21 120.6(4) . . ?
C17 C18 C19 121.9(3) . . ?
C17 C18 H18 119.1 . . ?
C19 C18 H18 119.1 . . ?
C14 C19 C18 119.3(3) . . ?
C14 C19 C20 121.0(3) . . ?
C18 C19 C20 119.7(3) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C17 C21 H21A 109.5 . . ?
C17 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C17 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C15 C22 H22A 109.5 . . ?
C15 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C15 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C28 C23 C24 119.4(2) . . ?
C28 C23 C9 120.1(2) . . ?
C24 C23 C9 119.9(2) . . ?
C25 C24 C23 119.1(2) . . ?
C25 C24 C31 119.2(2) . . ?
C23 C24 C31 121.6(2) . . ?
C26 C25 C24 122.3(3) . . ?
C26 C25 H25 118.9 . . ?
C24 C25 H25 118.9 . . ?
C27 C26 C25 117.6(3) . . ?
C27 C26 C30 121.0(3) . . ?
C25 C26 C30 121.4(3) . . ?
C26 C27 C28 122.7(3) . . ?
C26 C27 H27 118.7 . . ?
C28 C27 H27 118.7 . . ?
C27 C28 C23 118.4(2) . . ?
C27 C28 C29 119.3(2) . . ?
C23 C28 C29 122.2(2) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C26 C30 H30A 109.5 . . ?
C26 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C26 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C24 C31 H31A 109.5 . . ?
C24 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C24 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
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
P1 O2 1.4753(17) . ?
P1 O1 1.4754(16) . ?
P1 C8 1.844(2) . ?
P1 C1 1.858(2) . ?
N1 C1 1.346(3) . ?
N1 C3 1.383(3) . ?
N1 C4 1.467(3) . ?
N2 C1 1.349(3) . ?
N2 C2 1.380(3) . ?
N2 C7 1.458(3) . ?
C2 C3 1.349(3) . ?
C2 C6 1.488(3) . ?
C3 C5 1.482(3) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C13 1.402(3) . ?
C8 C9 1.418(3) . ?
C9 C10 1.386(3) . ?
C9 C23 1.499(3) . ?
C10 C11 1.362(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.379(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.390(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.509(3) . ?
C14 C19 1.391(4) . ?
C14 C15 1.404(4) . ?
C15 C16 1.389(4) . ?
C15 C22 1.497(4) . ?
C16 C17 1.372(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.371(5) . ?
C17 C21 1.516(4) . ?
C18 C19 1.399(4) . ?
C18 H18 0.9300 . ?
C19 C20 1.499(4) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
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 C28 1.399(3) . ?
C23 C24 1.407(3) . ?
C24 C25 1.387(4) . ?
C24 C31 1.500(4) . ?
C25 C26 1.379(4) . ?
C25 H25 0.9300 . ?
C26 C27 1.377(4) . ?
C26 C30 1.516(4) . ?
C27 C28 1.397(4) . ?
C27 H27 0.9300 . ?
C28 C29 1.503(3) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
