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#$Date: 2024-05-05 04:56:03 +0300 (Sun, 05 May 2024) $
#$Revision: 291581 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/12/1571251.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_1571251
loop_
_publ_author_name
'Kopp, Richard O.'
'Kleynemeyer, Sabrina L.'
'Groth, Lucie J.'
'Ernst, Moritz J.'
'Rupf, Susanne M.'
'Weber, Manuela'
'Kershaw Cook, Laurence J.'
'Coles, Nathan T.'
'Neale, Samuel E.'
'Müller, Christian'
_publ_section_title
;
 Highly selective, reversible water activation by P,N-cooperativity in
 pyridyl-functionalized phosphinines.
;
_journal_issue                   15
_journal_name_full               'Chemical science'
_journal_page_first              5496
_journal_page_last               5506
_journal_paper_doi               10.1039/d3sc05930h
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C29 H25 N4 P, C7 H8'
_chemical_formula_sum            'C36 H33 N4 P'
_chemical_formula_weight         552.63
_chemical_name_systematic
'6,6',6'',6'''-(phosphinine-2,3,5,6-tetrayl)tetrakis(3-methylpyridine) toluene solvate'
_chemical_properties_physical    Moisture-sensitive
_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_date             2023-10-31
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2023-10-31 deposited with the CCDC.	2024-03-08 downloaded from the CCDC.
;
_cell_angle_alpha                102.992(2)
_cell_angle_beta                 95.8210(10)
_cell_angle_gamma                93.2140(10)
_cell_formula_units_Z            1
_cell_length_a                   6.0439(2)
_cell_length_b                   10.8817(5)
_cell_length_c                   11.4035(5)
_cell_measurement_reflns_used    9945
_cell_measurement_temperature    150.00
_cell_measurement_theta_max      30.56
_cell_measurement_theta_min      2.34
_cell_volume                     724.61(5)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150.00
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_unetI/netI     0.0202
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            40058
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.591
_diffrn_reflns_theta_min         2.339
_exptl_absorpt_coefficient_mu    0.127
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9471
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0972 before and 0.0550 after correction.
The Ratio of minimum to maximum transmission is 0.9471.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.266
_exptl_crystal_description       Plate
_exptl_crystal_F_000             292
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Toluene'
_exptl_crystal_size_max          0.494
_exptl_crystal_size_mid          0.243
_exptl_crystal_size_min          0.128
_refine_diff_density_max         0.316
_refine_diff_density_min         -0.248
_refine_diff_density_rms         0.057
_refine_ls_extinction_coef       0.044(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.277
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         4445
_refine_ls_number_restraints     91
_refine_ls_restrained_S_all      1.267
_refine_ls_R_factor_all          0.0782
_refine_ls_R_factor_gt           0.0735
_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)+0.8739P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1536
_refine_ls_wR_factor_ref         0.1556
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4067
_reflns_number_total             4445
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc05930h2.cif
_cod_data_source_block           skl025_lkcntc
_cod_depositor_comments
'Adding full bibliography for 1571249--1571254.cif.'
_cod_database_code               1571251
_shelx_shelxl_version_number     2019/2
_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_max   0.984
_shelx_estimated_absorpt_t_min   0.940
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained planarity
 C24, C19, C20, C21, C22, C23, C18
 with sigma of 0.1
3. Uiso/Uaniso restraints and constraints
C23 \\sim C24 \\sim C19 \\sim C20 \\sim C21 \\sim C22 \\sim C18: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
Uanis(C1) = Uanis(C2) = Uanis(C5) = Uanis(C4)
4. Rigid body (RIGU) restrains
 C24, C23, C22, C21, C20, C19, C18
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: P1(0.5) C2(0.5) C1(0.5) C19(0.5) C24(0.5) H24(0.5) C23(0.5)
 H23(0.5) C22(0.5) H22(0.5) C21(0.5) H21(0.5) C20(0.5) H20(0.5) C18(0.5)
 H18A(0.5) H18B(0.5) H18C(0.5) C3(0.5) H3(0.5) C5(0.5) C4(0.5)
6.a Aromatic/amide H refined with riding coordinates:
 C14(H14), C13(H13), C10(H10), C16(H16), C7(H7), C8(H8), C24(H24), C23(H23),
 C22(H22), C21(H21), C20(H20), C3(H3)
6.b Fitted hexagon refined as free rotating group:
 C19(C24,C23,C22,C21,C20)
6.c Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C)
;
_olex2_submission_original_sample_id SKL025
_olex2_submission_special_instructions 'No special instructions were received'
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
P1 P 0.85105(18) 0.36241(11) -0.11882(10) 0.0205(2) Uani 0.5 1 d . . P A -1
N1 N 0.7527(3) 0.25487(17) 0.14760(16) 0.0278(4) Uani 1 1 d . . . . .
N2 N 1.0562(3) 0.59172(16) 0.33902(17) 0.0276(4) Uani 1 1 d . . . . .
C12 C 0.8858(3) 0.54618(17) 0.25224(17) 0.0215(4) Uani 1 1 d . . . . .
C6 C 0.6792(4) 0.31680(18) 0.06340(18) 0.0269(4) Uani 1 1 d . . . . .
C14 C 0.6215(3) 0.58863(19) 0.39689(18) 0.0261(4) Uani 1 1 d . . . . .
H14 H 0.472141 0.586965 0.415926 0.031 Uiso 1 1 calc R U . . .
C13 C 0.6652(3) 0.54136(18) 0.27888(17) 0.0231(4) Uani 1 1 d . . . . .
H13 H 0.546768 0.506177 0.216947 0.028 Uiso 1 1 calc R U . . .
C10 C 0.6119(4) 0.1643(2) 0.16942(19) 0.0297(4) Uani 1 1 d . . . . .
H10 H 0.663336 0.120427 0.228802 0.036 Uiso 1 1 calc R U . . .
C2 C 0.933(3) 0.5087(12) 0.1161(5) 0.0183(12) Uani 0.5 1 d . . P A -1
C15 C 0.7952(3) 0.63833(19) 0.48726(18) 0.0271(4) Uani 1 1 d . . . . .
C1 C 0.8166(13) 0.4047(8) 0.0329(13) 0.0183(12) Uani 0.5 1 d . . P A -1
C9 C 0.3960(4) 0.1307(2) 0.1108(2) 0.0320(5) Uani 1 1 d . . . . .
C16 C 1.0094(3) 0.63428(19) 0.4522(2) 0.0291(4) Uani 1 1 d . . . . .
H16 H 1.131286 0.664056 0.513448 0.035 Uiso 1 1 calc R U . . .
C7 C 0.4667(4) 0.2903(2) 0.0017(2) 0.0421(6) Uani 1 1 d . . . . .
H7 H 0.418238 0.335350 -0.057190 0.051 Uiso 1 1 calc R U . . .
C11 C 0.2493(4) 0.0276(2) 0.1389(3) 0.0426(6) Uani 1 1 d . . . . .
H11A H 0.247650 -0.049779 0.075197 0.064 Uiso 1 1 calc R U . . .
H11B H 0.097285 0.053912 0.142925 0.064 Uiso 1 1 calc R U . . .
H11C H 0.307312 0.011562 0.217037 0.064 Uiso 1 1 calc R U . . .
C8 C 0.3256(4) 0.1976(2) 0.0267(3) 0.0448(6) Uani 1 1 d . . . . .
H8 H 0.178698 0.179759 -0.014600 0.054 Uiso 1 1 calc R U . . .
C19 C 0.389(3) 1.0627(18) 0.6005(18) 0.037(3) Uani 0.5 1 d G U P B -1
C24 C 0.599(3) 1.1150(18) 0.5890(18) 0.043(3) Uani 0.5 1 d G U P B -1
H24 H 0.660205 1.191193 0.643836 0.051 Uiso 0.5 1 calc R U P B -1
C23 C 0.718(3) 1.0558(18) 0.4972(18) 0.040(3) Uani 0.5 1 d G U P B -1
H23 H 0.861140 1.091594 0.489364 0.048 Uiso 0.5 1 calc R U P B -1
C22 C 0.628(3) 0.9444(17) 0.4170(18) 0.0315(19) Uani 0.5 1 d G U P B -1
H22 H 0.709268 0.903916 0.354243 0.038 Uiso 0.5 1 calc R U P B -1
C21 C 0.418(3) 0.8920(17) 0.4284(17) 0.0322(16) Uani 0.5 1 d G U P B -1
H21 H 0.356458 0.815838 0.373592 0.039 Uiso 0.5 1 calc R U P B -1
C20 C 0.299(3) 0.9512(18) 0.5202(17) 0.033(2) Uani 0.5 1 d G U P B -1
H20 H 0.155519 0.915436 0.528064 0.040 Uiso 0.5 1 calc R U P B -1
C17 C 0.7569(4) 0.6975(2) 0.6151(2) 0.0384(5) Uani 1 1 d . . . . .
H17A H 0.708283 0.782649 0.619291 0.058 Uiso 1 1 calc R U . . .
H17B H 0.895976 0.702929 0.668955 0.058 Uiso 1 1 calc R U . . .
H17C H 0.641466 0.645569 0.640498 0.058 Uiso 1 1 calc R U . . .
C18 C 0.2524(9) 1.1174(5) 0.6882(5) 0.0421(11) Uani 0.5 1 d . U P B -1
H18A H 0.343055 1.146978 0.766940 0.063 Uiso 0.5 1 calc R U P B -1
H18B H 0.134749 1.054196 0.694242 0.063 Uiso 0.5 1 calc R U P B -1
H18C H 0.184553 1.189189 0.664345 0.063 Uiso 0.5 1 calc R U P B -1
C3 C 1.0853(7) 0.5867(4) 0.0783(4) 0.0230(8) Uani 0.5 1 d . . P A -1
H3 H 1.161227 0.654046 0.139556 0.028 Uiso 0.5 1 calc R U P A -1
C5 C 1.046(3) 0.4793(12) -0.1359(5) 0.0183(12) Uani 0.5 1 d . . P A -1
C4 C 1.1417(13) 0.5782(8) -0.0394(13) 0.0183(12) Uani 0.5 1 d . . P A -1
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0.00 1.00 -8.00 0.0550
-5.00 1.00 0.00 0.1800
0.00 -1.00 9.00 0.0760
9.00 -3.00 7.00 0.1940
0.00 9.00 -8.00 0.0400
0.00 -3.00 2.00 0.0640
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
C1 P1 C5 103.4(4) . . ?
C6 N1 C10 117.56(18) . . ?
C16 N2 C12 118.11(17) . . ?
N2 C12 C13 121.44(18) . . ?
N2 C12 C2 119.3(7) . . ?
C13 C12 C2 119.0(6) . . ?
N1 C6 C1 120.4(5) . . ?
N1 C6 C7 121.8(2) . . ?
C1 C6 C7 117.7(6) . . ?
C13 C14 H14 119.9 . . ?
C13 C14 C15 120.23(18) . . ?
C15 C14 H14 119.9 . . ?
C12 C13 H13 120.5 . . ?
C14 C13 C12 119.08(17) . . ?
C14 C13 H13 120.5 . . ?
N1 C10 H10 117.8 . . ?
N1 C10 C9 124.5(2) . . ?
C9 C10 H10 117.8 . . ?
C1 C2 C12 122.1(14) . . ?
C3 C2 C12 117.5(10) . . ?
C3 C2 C1 120.3(6) . . ?
C14 C15 C16 116.18(18) . . ?
C14 C15 C17 122.50(19) . . ?
C16 C15 C17 121.29(19) . . ?
C6 C1 P1 110.9(8) . . ?
C6 C1 C2 124.3(13) . . ?
C2 C1 P1 124.5(5) . . ?
C10 C9 C11 121.5(2) . . ?
C8 C9 C10 116.2(2) . . ?
C8 C9 C11 122.3(2) . . ?
N2 C16 C15 124.89(18) . . ?
N2 C16 H16 117.6 . . ?
C15 C16 H16 117.6 . . ?
C6 C7 H7 120.3 . . ?
C8 C7 C6 119.3(2) . . ?
C8 C7 H7 120.3 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C8 C7 120.6(2) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C24 C19 C20 120.0 . . ?
C24 C19 C18 124.2(8) . . ?
C20 C19 C18 115.8(8) . . ?
C19 C24 H24 120.0 . . ?
C23 C24 C19 120.0 . . ?
C23 C24 H24 120.0 . . ?
C24 C23 H23 120.0 . . ?
C24 C23 C22 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C22 H22 120.0 . . ?
C21 C22 C23 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C21 H21 120.0 . . ?
C22 C21 C20 120.0 . . ?
C20 C21 H21 120.0 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H20 120.0 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 H18A 109.5 . . ?
C19 C18 H18B 109.5 . . ?
C19 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C2 C3 H3 116.1 . . ?
C2 C3 C4 127.8(9) . . ?
C4 C3 H3 116.1 . . ?
C4 C5 P1 123.1(7) . . ?
C3 C4 C5 120.8(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 C1 1.725(13) . ?
P1 C5 1.742(18) . ?
N1 C6 1.346(3) . ?
N1 C10 1.348(3) . ?
N2 C12 1.342(2) . ?
N2 C16 1.334(3) . ?
C12 C13 1.398(2) . ?
C12 C2 1.573(6) . ?
C6 C1 1.358(6) . ?
C6 C7 1.382(3) . ?
C14 H14 0.9500 . ?
C14 C13 1.386(3) . ?
C14 C15 1.387(3) . ?
C13 H13 0.9500 . ?
C10 H10 0.9500 . ?
C10 C9 1.394(3) . ?
C2 C1 1.402(6) . ?
C2 C3 1.383(18) . ?
C15 C16 1.393(3) . ?
C15 C17 1.502(3) . ?
C9 C11 1.501(3) . ?
C9 C8 1.378(3) . ?
C16 H16 0.9500 . ?
C7 H7 0.9500 . ?
C7 C8 1.381(4) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C8 H8 0.9500 . ?
C19 C24 1.3900 . ?
C19 C20 1.3900 . ?
C19 C18 1.411(18) . ?
C24 H24 0.9500 . ?
C24 C23 1.3900 . ?
C23 H23 0.9500 . ?
C23 C22 1.3900 . ?
C22 H22 0.9500 . ?
C22 C21 1.3900 . ?
C21 H21 0.9500 . ?
C21 C20 1.3900 . ?
C20 H20 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C3 H3 0.9500 . ?
C3 C4 1.403(12) . ?
C5 C4 1.404(5) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P1 C5 C4 C3 0.9(7) . . . . ?
N1 C6 C1 P1 119.7(6) . . . . ?
N1 C6 C1 C2 -54.2(7) . . . . ?
N1 C6 C7 C8 -0.2(4) . . . . ?
N1 C10 C9 C11 179.3(2) . . . . ?
N1 C10 C9 C8 -1.0(3) . . . . ?
N2 C12 C13 C14 2.2(3) . . . . ?
N2 C12 C2 C1 143.7(5) . . . . ?
N2 C12 C2 C3 -39.8(8) . . . . ?
C12 N2 C16 C15 -1.8(3) . . . . ?
C12 C2 C1 P1 177.1(7) . . . . ?
C12 C2 C1 C6 -9.8(7) . . . . ?
C12 C2 C3 C4 -174.8(4) . . . . ?
C6 N1 C10 C9 0.0(3) . . . . ?
C6 C7 C8 C9 -0.9(4) . . . . ?
C14 C15 C16 N2 3.0(3) . . . . ?
C13 C12 C2 C1 -41.7(7) . . . . ?
C13 C12 C2 C3 134.8(7) . . . . ?
C13 C14 C15 C16 -1.5(3) . . . . ?
C13 C14 C15 C17 176.4(2) . . . . ?
C10 N1 C6 C1 -176.7(6) . . . . ?
C10 N1 C6 C7 0.6(3) . . . . ?
C10 C9 C8 C7 1.4(4) . . . . ?
C2 C12 C13 C14 -172.3(5) . . . . ?
C2 C3 C4 C5 -2.5(10) . . . . ?
C15 C14 C13 C12 -0.9(3) . . . . ?
C1 P1 C5 C4 1.0(7) . . . . ?
C1 C6 C7 C8 177.2(6) . . . . ?
C1 C2 C3 C4 1.7(12) . . . . ?
C16 N2 C12 C13 -0.9(3) . . . . ?
C16 N2 C12 C2 173.6(5) . . . . ?
C7 C6 C1 P1 -57.7(5) . . . . ?
C7 C6 C1 C2 128.3(5) . . . . ?
C11 C9 C8 C7 -178.9(2) . . . . ?
C19 C24 C23 C22 0.0 . . . . ?
C24 C19 C20 C21 0.0 . . . . ?
C24 C23 C22 C21 0.0 . . . . ?
C23 C22 C21 C20 0.0 . . . . ?
C22 C21 C20 C19 0.0 . . . . ?
C20 C19 C24 C23 0.0 . . . . ?
C17 C15 C16 N2 -175.0(2) . . . . ?
C18 C19 C24 C23 -178.1(11) . . . . ?
C18 C19 C20 C21 178.2(10) . . . . ?
C3 C2 C1 P1 0.7(8) . . . . ?
C3 C2 C1 C6 173.8(8) . . . . ?
C5 P1 C1 C6 -175.7(3) . . . . ?
C5 P1 C1 C2 -1.8(6) . . . . ?
