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#$Date: 2024-04-05 02:34:33 +0300 (Fri, 05 Apr 2024) $
#$Revision: 290977 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/53/7715317.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_7715317
loop_
_publ_author_name
'Dorow, Richard C. C.'
'Liebing, Phil'
'Görls, Helmar'
'Westerhausen, Matthias'
_publ_section_title
;
 Coordination chemistry of alkali metal dimesityl-thio- and
 dimesityl-selenophosphinites
 [(L)₂A-EPMes₂]₂ (A = Li, Na, K; E = S,
 Se; L = THF, THP) and [(18C6)K-SPMes₂].
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5711
_journal_page_last               5720
_journal_paper_doi               10.1039/d4dt00264d
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C48 H76 N4 Na2 O2 P2'
_chemical_formula_sum            'C48 H76 N4 Na2 O2 P2'
_chemical_formula_weight         849.04
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-07-05 deposited with the CCDC.	2024-02-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.363(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.5768(3)
_cell_length_b                   15.2815(4)
_cell_length_c                   13.3242(3)
_cell_measurement_reflns_used    17389
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      27.427
_cell_measurement_theta_min      2.029
_cell_volume                     2558.63(11)
_computing_cell_refinement       DENZO
_computing_data_collection       COLLECT
_computing_data_reduction        DENZO
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi + omega - scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0332
_diffrn_reflns_av_unetI/netI     0.0287
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17389
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.427
_diffrn_reflns_theta_min         2.029
_exptl_absorpt_coefficient_mu    0.140
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6779
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.102
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.121
_exptl_crystal_size_mid          0.102
_exptl_crystal_size_min          0.098
_refine_diff_density_max         0.729
_refine_diff_density_min         -0.364
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         5815
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0716
_refine_ls_R_factor_gt           0.0589
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0802P)²+1.7917P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1577
_refine_ls_wR_factor_ref         0.1683
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4881
_reflns_number_total             5815
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt00264d2.cif
_cod_data_source_block           FO6257_Haerling
_cod_depositor_comments
'Adding full bibliography for 7715309--7715318.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7715317
_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   0.983
_shelx_estimated_absorpt_t_max   0.986
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 0.61802(4) 0.48936(3) 0.70385(4) 0.03131(15) Uani 1 1 d . . . . .
Na1 Na 0.50052(7) 0.60238(6) 0.48315(7) 0.0421(2) Uani 1 1 d . . . . .
O1 O 0.57922(12) 0.51454(10) 0.59462(11) 0.0393(4) Uani 1 1 d . . . . .
N1 N 0.56450(18) 0.73887(14) 0.39235(16) 0.0518(5) Uani 1 1 d . . . . .
N2 N 0.38212(16) 0.72221(14) 0.53852(16) 0.0489(5) Uani 1 1 d . . . . .
C1 C 0.76624(15) 0.49778(12) 0.71582(14) 0.0289(4) Uani 1 1 d . . . . .
C2 C 0.83453(16) 0.50999(13) 0.63491(15) 0.0330(4) Uani 1 1 d . . . . .
C3 C 0.94447(17) 0.50685(14) 0.65282(16) 0.0367(4) Uani 1 1 d . . . . .
H3A H 0.989024 0.516106 0.597938 0.044 Uiso 1 1 calc R U . . .
C4 C 0.99203(17) 0.49085(14) 0.74693(17) 0.0372(4) Uani 1 1 d . . . . .
C5 C 0.92439(16) 0.47647(14) 0.82547(16) 0.0350(4) Uani 1 1 d . . . . .
H5A H 0.954448 0.464165 0.890523 0.042 Uiso 1 1 calc R U . . .
C6 C 0.81415(16) 0.47957(12) 0.81164(15) 0.0309(4) Uani 1 1 d . . . . .
C7 C 0.79503(19) 0.52929(18) 0.52811(16) 0.0455(5) Uani 1 1 d . . . . .
H7A H 0.851056 0.515317 0.481706 0.068 Uiso 1 1 calc R U . . .
H7B H 0.776543 0.591421 0.522039 0.068 Uiso 1 1 calc R U . . .
H7C H 0.731964 0.493618 0.511590 0.068 Uiso 1 1 calc R U . . .
C8 C 1.11195(18) 0.48891(18) 0.7628(2) 0.0503(6) Uani 1 1 d . . . . .
H8A H 1.142809 0.540101 0.730594 0.075 Uiso 1 1 calc R U . . .
H8B H 1.140026 0.435427 0.733119 0.075 Uiso 1 1 calc R U . . .
H8C H 1.130610 0.489937 0.834921 0.075 Uiso 1 1 calc R U . . .
C9 C 0.74748(17) 0.46261(16) 0.90179(15) 0.0398(5) Uani 1 1 d . . . . .
H9A H 0.792852 0.439135 0.956974 0.060 Uiso 1 1 calc R U . . .
H9B H 0.691466 0.420217 0.883657 0.060 Uiso 1 1 calc R U . . .
H9C H 0.715019 0.517519 0.923030 0.060 Uiso 1 1 calc R U . . .
C10 C 0.57946(15) 0.58466(13) 0.78280(14) 0.0313(4) Uani 1 1 d . . . . .
C11 C 0.62256(15) 0.66990(14) 0.77664(14) 0.0329(4) Uani 1 1 d . . . . .
C12 C 0.58749(17) 0.73652(15) 0.83890(16) 0.0386(5) Uani 1 1 d . . . . .
H12A H 0.617179 0.793402 0.833494 0.046 Uiso 1 1 calc R U . . .
C13 C 0.51033(18) 0.72173(16) 0.90853(17) 0.0433(5) Uani 1 1 d . . . . .
C14 C 0.46483(17) 0.63953(17) 0.91141(17) 0.0431(5) Uani 1 1 d . . . . .
H14A H 0.409909 0.629180 0.956810 0.052 Uiso 1 1 calc R U . . .
C15 C 0.49679(16) 0.57080(15) 0.84972(15) 0.0367(4) Uani 1 1 d . . . . .
C16 C 0.70490(17) 0.69381(15) 0.70168(16) 0.0396(5) Uani 1 1 d . . . . .
H16A H 0.709306 0.757634 0.696040 0.059 Uiso 1 1 calc R U . . .
H16B H 0.684377 0.668797 0.635977 0.059 Uiso 1 1 calc R U . . .
H16C H 0.774356 0.670477 0.724454 0.059 Uiso 1 1 calc R U . . .
C17 C 0.4767(2) 0.7946(2) 0.9782(2) 0.0629(8) Uani 1 1 d . . . . .
H17A H 0.424541 0.771947 1.024261 0.094 Uiso 1 1 calc R U . . .
H17B H 0.444762 0.842458 0.938316 0.094 Uiso 1 1 calc R U . . .
H17C H 0.539146 0.816440 1.016902 0.094 Uiso 1 1 calc R U . . .
C18 C 0.43866(19) 0.48460(17) 0.8565(2) 0.0493(6) Uani 1 1 d . . . . .
H18A H 0.384611 0.488936 0.907172 0.074 Uiso 1 1 calc R U . . .
H18B H 0.489461 0.438285 0.875571 0.074 Uiso 1 1 calc R U . . .
H18C H 0.404221 0.470685 0.791121 0.074 Uiso 1 1 calc R U . . .
C19 C 0.6794(2) 0.7546(2) 0.4016(3) 0.0691(8) Uani 1 1 d . . . . .
H19A H 0.696058 0.810258 0.369192 0.104 Uiso 1 1 calc R U . . .
H19B H 0.717046 0.706970 0.368962 0.104 Uiso 1 1 calc R U . . .
H19C H 0.701992 0.757187 0.472814 0.104 Uiso 1 1 calc R U . . .
C20 C 0.5304(3) 0.7383(2) 0.2861(2) 0.0807(11) Uani 1 1 d . . . . .
H20A H 0.543169 0.795998 0.256806 0.121 Uiso 1 1 calc R U . . .
H20B H 0.454355 0.724495 0.279518 0.121 Uiso 1 1 calc R U . . .
H20C H 0.570912 0.693986 0.250621 0.121 Uiso 1 1 calc R U . . .
C21 C 0.5123(3) 0.81031(19) 0.4456(3) 0.0670(8) Uani 1 1 d . . . . .
H21A H 0.516771 0.864161 0.404665 0.080 Uiso 1 1 calc R U . . .
H21B H 0.552758 0.820992 0.509717 0.080 Uiso 1 1 calc R U . . .
C22 C 0.3984(3) 0.7954(2) 0.4682(3) 0.0737(9) Uani 1 1 d . . . . .
H22A H 0.369426 0.849656 0.497233 0.088 Uiso 1 1 calc R U . . .
H22B H 0.357589 0.783469 0.404526 0.088 Uiso 1 1 calc R U . . .
C23 C 0.4040(3) 0.7502(2) 0.6423(2) 0.0739(9) Uani 1 1 d . . . . .
H23A H 0.352484 0.795162 0.660104 0.111 Uiso 1 1 calc R U . . .
H23B H 0.476139 0.774297 0.649017 0.111 Uiso 1 1 calc R U . . .
H23C H 0.397976 0.699903 0.687349 0.111 Uiso 1 1 calc R U . . .
C24 C 0.2705(3) 0.6960(3) 0.5285(3) 0.0925(12) Uani 1 1 d . . . . .
H24A H 0.225157 0.745525 0.545659 0.139 Uiso 1 1 calc R U . . .
H24B H 0.257784 0.647106 0.574092 0.139 Uiso 1 1 calc R U . . .
H24C H 0.253640 0.677814 0.459170 0.139 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'
Na Na 0.0362 0.0249 '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
O1 P1 C1 109.53(8) . . ?
O1 P1 C10 104.68(9) . . ?
C1 P1 C10 100.32(8) . . ?
O1 P1 Na1 42.30(6) . 3_666 ?
C1 P1 Na1 122.11(6) . 3_666 ?
C10 P1 Na1 131.30(6) . 3_666 ?
O1 Na1 O1 90.34(6) . 3_666 ?
O1 Na1 N2 120.33(7) . . ?
O1 Na1 N2 117.00(7) 3_666 . ?
O1 Na1 N1 132.34(7) . . ?
O1 Na1 N1 124.46(7) 3_666 . ?
N2 Na1 N1 75.18(8) . . ?
O1 Na1 Na1 46.09(4) . 3_666 ?
O1 Na1 Na1 44.25(4) 3_666 3_666 ?
N2 Na1 Na1 132.80(7) . 3_666 ?
N1 Na1 Na1 151.36(8) . 3_666 ?
O1 Na1 P1 116.27(5) . 3_666 ?
O1 Na1 P1 27.52(4) 3_666 3_666 ?
N2 Na1 P1 106.85(5) . 3_666 ?
N1 Na1 P1 97.79(6) . 3_666 ?
Na1 Na1 P1 70.73(3) 3_666 3_666 ?
P1 O1 Na1 152.93(10) . . ?
P1 O1 Na1 110.18(9) . 3_666 ?
Na1 O1 Na1 89.66(6) . 3_666 ?
C20 N1 C19 109.3(3) . . ?
C20 N1 C21 110.6(3) . . ?
C19 N1 C21 107.2(2) . . ?
C20 N1 Na1 111.57(17) . . ?
C19 N1 Na1 115.00(17) . . ?
C21 N1 Na1 102.81(16) . . ?
C24 N2 C23 108.0(3) . . ?
C24 N2 C22 107.9(3) . . ?
C23 N2 C22 110.6(3) . . ?
C24 N2 Na1 110.8(2) . . ?
C23 N2 Na1 113.80(17) . . ?
C22 N2 Na1 105.58(18) . . ?
C6 C1 C2 117.55(17) . . ?
C6 C1 P1 116.68(14) . . ?
C2 C1 P1 125.27(15) . . ?
C3 C2 C1 119.53(18) . . ?
C3 C2 C7 116.83(18) . . ?
C1 C2 C7 123.61(18) . . ?
C4 C3 C2 123.22(19) . . ?
C4 C3 H3A 118.4 . . ?
C2 C3 H3A 118.4 . . ?
C3 C4 C5 116.90(19) . . ?
C3 C4 C8 121.3(2) . . ?
C5 C4 C8 121.8(2) . . ?
C6 C5 C4 122.08(19) . . ?
C6 C5 H5A 119.0 . . ?
C4 C5 H5A 119.0 . . ?
C5 C6 C1 120.68(18) . . ?
C5 C6 C9 118.03(18) . . ?
C1 C6 C9 121.29(17) . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C15 C10 C11 117.93(19) . . ?
C15 C10 P1 116.89(16) . . ?
C11 C10 P1 125.09(15) . . ?
C12 C11 C10 120.38(19) . . ?
C12 C11 C16 117.25(19) . . ?
C10 C11 C16 122.35(18) . . ?
C13 C12 C11 121.7(2) . . ?
C13 C12 H12A 119.2 . . ?
C11 C12 H12A 119.2 . . ?
C14 C13 C12 117.9(2) . . ?
C14 C13 C17 121.5(2) . . ?
C12 C13 C17 120.5(2) . . ?
C13 C14 C15 122.4(2) . . ?
C13 C14 H14A 118.8 . . ?
C15 C14 H14A 118.8 . . ?
C14 C15 C10 119.6(2) . . ?
C14 C15 C18 117.8(2) . . ?
C10 C15 C18 122.6(2) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C13 C17 H17A 109.5 . . ?
C13 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C13 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N1 C19 H19A 109.5 . . ?
N1 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
N1 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N1 C20 H20A 109.5 . . ?
N1 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
N1 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N1 C21 C22 115.8(3) . . ?
N1 C21 H21A 108.3 . . ?
C22 C21 H21A 108.3 . . ?
N1 C21 H21B 108.3 . . ?
C22 C21 H21B 108.3 . . ?
H21A C21 H21B 107.4 . . ?
N2 C22 C21 113.7(2) . . ?
N2 C22 H22A 108.8 . . ?
C21 C22 H22A 108.8 . . ?
N2 C22 H22B 108.8 . . ?
C21 C22 H22B 108.8 . . ?
H22A C22 H22B 107.7 . . ?
N2 C23 H23A 109.5 . . ?
N2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N2 C24 H24A 109.5 . . ?
N2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 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 O1 1.5639(15) . ?
P1 C1 1.8688(19) . ?
P1 C10 1.872(2) . ?
P1 Na1 3.1765(10) 3_666 ?
Na1 O1 2.2060(17) . ?
Na1 O1 2.2774(17) 3_666 ?
Na1 N2 2.491(2) . ?
Na1 N1 2.558(2) . ?
Na1 Na1 3.1614(18) 3_666 ?
N1 C20 1.463(4) . ?
N1 C19 1.465(4) . ?
N1 C21 1.471(4) . ?
N2 C24 1.461(4) . ?
N2 C23 1.463(4) . ?
N2 C22 1.479(4) . ?
C1 C6 1.417(3) . ?
C1 C2 1.418(3) . ?
C2 C3 1.394(3) . ?
C2 C7 1.517(3) . ?
C3 C4 1.389(3) . ?
C3 H3A 0.9500 . ?
C4 C5 1.393(3) . ?
C4 C8 1.515(3) . ?
C5 C6 1.392(3) . ?
C5 H5A 0.9500 . ?
C6 C9 1.515(3) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C15 1.413(3) . ?
C10 C11 1.415(3) . ?
C11 C12 1.396(3) . ?
C11 C16 1.513(3) . ?
C12 C13 1.388(3) . ?
C12 H12A 0.9500 . ?
C13 C14 1.382(4) . ?
C13 C17 1.521(3) . ?
C14 C15 1.403(3) . ?
C14 H14A 0.9500 . ?
C15 C18 1.511(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
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 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.493(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
