# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_testt1
_database_code_depnum_ccdc_archive 'CCDC 1959443'
loop_
_audit_author_name
_audit_author_address
'Hazel Sparkes'
;University of Bristol
United Kingdom
;
_audit_update_record             
;
2019-10-15 deposited with the CCDC.	2021-09-20 downloaded from the CCDC.
;
_audit_creation_date             2017-05-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C31 H27 Cl N3 O2 P Pd S'
_chemical_formula_sum            'C31 H27 Cl N3 O2 P Pd S'
_chemical_formula_weight         678.43
_chemical_melting_point          ?
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'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.2795(6)
_cell_length_b                   11.5534(6)
_cell_length_c                   11.9252(7)
_cell_angle_alpha                83.771(3)
_cell_angle_beta                 83.572(3)
_cell_angle_gamma                68.836(3)
_cell_volume                     1436.23(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7096
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.78
_cell_measurement_theta_min      2.18
_shelx_estimated_absorpt_T_max   0.931
_shelx_estimated_absorpt_T_min   0.739
_exptl_absorpt_coefficient_mu    0.902
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5982
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.0704 before and 0.0456 after correction. The Ratio of minimum to maximum transmission is 0.8023. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.357
_exptl_crystal_size_mid          0.139
_exptl_crystal_size_min          0.08
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_unetI/netI     0.0370
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            26615
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.940
_diffrn_reflns_theta_min         1.723
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Bruker area detector'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'Bruker Apex II kappa CCD area detector'
_diffrn_measurement_device_type  'Bruker Apex II kappa CCD area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5792
_reflns_number_total             6865
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'Bruker Apex suite'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.418
_refine_diff_density_min         -0.574
_refine_diff_density_rms         0.077
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     366
_refine_ls_number_reflns         6865
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0363
_refine_ls_R_factor_gt           0.0270
_refine_ls_restrained_S_all      1.025
_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)+(0.0237P)²+0.6878P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0573
_refine_ls_wR_factor_ref         0.0604
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C9(H9), C10(H10), C15(H15), C16(H16),
 C17(H17), C18(H18), C19(H19), C21(H21), C22(H22), C23(H23), C24(H24), C25(H25),
  C27(H27), C28(H28), C29(H29), C30(H30), C31(H31)
2.c Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Pd1 Pd 0.37038(2) 0.45414(2) 0.71760(2) 0.00994(5) Uani 1 1 d . . . . .
Cl1 Cl 0.16396(5) 0.45641(5) 0.71405(4) 0.01575(11) Uani 1 1 d . . . . .
S1 S 0.57123(5) 0.46006(5) 0.70942(4) 0.01345(11) Uani 1 1 d . . . . .
P1 P 0.41574(5) 0.28884(5) 0.84478(4) 0.01071(11) Uani 1 1 d . . . . .
O1 O 0.02553(16) 1.13488(15) 0.33550(14) 0.0201(3) Uani 1 1 d . . . . .
O2 O 0.22561(14) 0.99302(14) 0.42869(13) 0.0186(3) Uani 1 1 d . . . . .
N1 N 0.33526(16) 0.60961(16) 0.60448(14) 0.0113(3) Uani 1 1 d . . . . .
N2 N 0.43333(16) 0.65134(15) 0.57103(14) 0.0112(3) Uani 1 1 d . . . . .
N3 N 0.64064(16) 0.63355(16) 0.57074(15) 0.0141(4) Uani 1 1 d . . . . .
C1 C 0.0026(2) 1.0295(2) 0.32585(17) 0.0159(4) Uani 1 1 d . . . . .
C2 C -0.1019(2) 1.0400(2) 0.26737(18) 0.0214(5) Uani 1 1 d . . . . .
H2 H -0.1555 1.1194 0.2386 0.026 Uiso 1 1 calc R . . . .
C3 C -0.1269(2) 0.9352(3) 0.25157(19) 0.0253(5) Uani 1 1 d . . . . .
H3 H -0.1968 0.9429 0.2099 0.030 Uiso 1 1 calc R . . . .
C4 C -0.0522(2) 0.8180(2) 0.29528(19) 0.0240(5) Uani 1 1 d . . . . .
H4 H -0.0709 0.7464 0.2841 0.029 Uiso 1 1 calc R . . . .
C5 C 0.0496(2) 0.8075(2) 0.35521(18) 0.0190(5) Uani 1 1 d . . . . .
H5 H 0.1011 0.7278 0.3853 0.023 Uiso 1 1 calc R . . . .
C6 C 0.07844(19) 0.9128(2) 0.37245(17) 0.0136(4) Uani 1 1 d . . . . .
C7 C 0.1899(2) 0.90284(19) 0.43173(17) 0.0136(4) Uani 1 1 d . . . . .
C8 C 0.2649(2) 0.78718(19) 0.49395(17) 0.0133(4) Uani 1 1 d . . . . .
C9 C 0.23402(19) 0.69000(19) 0.55753(17) 0.0124(4) Uani 1 1 d . . . . .
H9 H 0.1519 0.6834 0.5654 0.015 Uiso 1 1 calc R . . . .
C10 C 0.39301(19) 0.75816(19) 0.50551(16) 0.0122(4) Uani 1 1 d . . . . .
H10 H 0.4437 0.8053 0.4730 0.015 Uiso 1 1 calc R . . . .
C11 C 0.55785(19) 0.58725(19) 0.61039(17) 0.0126(4) Uani 1 1 d . . . . .
C12 C 0.7703(2) 0.5768(2) 0.6072(2) 0.0192(5) Uani 1 1 d . . . . .
H12A H 0.8171 0.5012 0.5663 0.023 Uiso 1 1 calc R . . . .
H12B H 0.7666 0.5516 0.6892 0.023 Uiso 1 1 calc R . . . .
C13 C 0.8398(2) 0.6668(2) 0.5841(2) 0.0254(5) Uani 1 1 d . . . . .
H13A H 0.8454 0.6899 0.5027 0.038 Uiso 1 1 calc GR . . . .
H13B H 0.9259 0.6277 0.6098 0.038 Uiso 1 1 calc GR . . . .
H13C H 0.7935 0.7414 0.6247 0.038 Uiso 1 1 calc GR . . . .
C14 C 0.28670(19) 0.29945(19) 0.95329(16) 0.0126(4) Uani 1 1 d . . . . .
C15 C 0.2231(2) 0.4118(2) 1.00243(18) 0.0181(5) Uani 1 1 d . . . . .
H15 H 0.2471 0.4820 0.9785 0.022 Uiso 1 1 calc R . . . .
C16 C 0.1251(2) 0.4214(2) 1.08603(19) 0.0216(5) Uani 1 1 d . . . . .
H16 H 0.0830 0.4977 1.1203 0.026 Uiso 1 1 calc R . . . .
C17 C 0.0883(2) 0.3200(2) 1.11976(18) 0.0215(5) Uani 1 1 d . . . . .
H17 H 0.0207 0.3270 1.1768 0.026 Uiso 1 1 calc R . . . .
C18 C 0.1498(2) 0.2087(2) 1.07052(18) 0.0201(5) Uani 1 1 d . . . . .
H18 H 0.1245 0.1392 1.0938 0.024 Uiso 1 1 calc R . . . .
C19 C 0.2485(2) 0.1982(2) 0.98698(17) 0.0161(4) Uani 1 1 d . . . . .
H19 H 0.2901 0.1218 0.9527 0.019 Uiso 1 1 calc R . . . .
C20 C 0.44822(19) 0.14403(19) 0.78067(17) 0.0125(4) Uani 1 1 d . . . . .
C21 C 0.39415(19) 0.1465(2) 0.68033(17) 0.0134(4) Uani 1 1 d . . . . .
H21 H 0.3423 0.2236 0.6458 0.016 Uiso 1 1 calc R . . . .
C22 C 0.4162(2) 0.0362(2) 0.63085(18) 0.0165(4) Uani 1 1 d . . . . .
H22 H 0.3784 0.0375 0.5632 0.020 Uiso 1 1 calc R . . . .
C23 C 0.4937(2) -0.0758(2) 0.68098(19) 0.0210(5) Uani 1 1 d . . . . .
H23 H 0.5106 -0.1509 0.6462 0.025 Uiso 1 1 calc R . . . .
C24 C 0.5470(2) -0.0793(2) 0.78150(19) 0.0212(5) Uani 1 1 d . . . . .
H24 H 0.5991 -0.1564 0.8158 0.025 Uiso 1 1 calc R . . . .
C25 C 0.5235(2) 0.0306(2) 0.83136(18) 0.0175(4) Uani 1 1 d . . . . .
H25 H 0.5590 0.0286 0.9005 0.021 Uiso 1 1 calc R . . . .
C26 C 0.5562(2) 0.26523(19) 0.91926(17) 0.0130(4) Uani 1 1 d . . . . .
C27 C 0.6771(2) 0.2050(2) 0.86738(18) 0.0174(4) Uani 1 1 d . . . . .
H27 H 0.6851 0.1708 0.7968 0.021 Uiso 1 1 calc R . . . .
C28 C 0.7857(2) 0.1947(2) 0.91768(19) 0.0213(5) Uani 1 1 d . . . . .
H28 H 0.8675 0.1522 0.8821 0.026 Uiso 1 1 calc R . . . .
C29 C 0.7755(2) 0.2458(2) 1.01931(19) 0.0239(5) Uani 1 1 d . . . . .
H29 H 0.8501 0.2399 1.0531 0.029 Uiso 1 1 calc R . . . .
C30 C 0.6557(2) 0.3058(2) 1.07177(19) 0.0218(5) Uani 1 1 d . . . . .
H30 H 0.6483 0.3404 1.1421 0.026 Uiso 1 1 calc R . . . .
C31 C 0.5471(2) 0.3156(2) 1.02234(18) 0.0175(4) Uani 1 1 d . . . . .
H31 H 0.4656 0.3570 1.0589 0.021 Uiso 1 1 calc R . . . .
H1 H 0.097(3) 1.108(3) 0.364(3) 0.058(11) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Pd1 Cl1 2.3240(5) . ?
Pd1 S1 2.2821(5) . ?
Pd1 P1 2.2469(6) . ?
Pd1 N1 2.0696(17) . ?
S1 C11 1.755(2) . ?
P1 C14 1.814(2) . ?
P1 C20 1.814(2) . ?
P1 C26 1.823(2) . ?
O1 C1 1.352(3) . ?
O1 H1 0.84(3) . ?
O2 C7 1.241(2) . ?
N1 N2 1.364(2) . ?
N1 C9 1.321(3) . ?
N2 C10 1.344(3) . ?
N2 C11 1.436(3) . ?
N3 C11 1.261(3) . ?
N3 C12 1.465(3) . ?
C1 C2 1.397(3) . ?
C1 C6 1.403(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.375(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.392(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.381(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.408(3) . ?
C6 C7 1.474(3) . ?
C7 C8 1.470(3) . ?
C8 C9 1.413(3) . ?
C8 C10 1.380(3) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.500(3) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.393(3) . ?
C14 C19 1.392(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.385(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.385(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.381(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.388(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.396(3) . ?
C20 C25 1.394(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.391(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.389(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.390(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.386(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.395(3) . ?
C26 C31 1.394(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.384(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.381(3) . ?
C29 H29 0.9500 . ?
C29 C30 1.389(3) . ?
C30 H30 0.9500 . ?
C30 C31 1.381(3) . ?
C31 H31 0.9500 . ?

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
S1 Pd1 Cl1 176.02(2) . . ?
P1 Pd1 Cl1 90.88(2) . . ?
P1 Pd1 S1 92.89(2) . . ?
N1 Pd1 Cl1 91.74(5) . . ?
N1 Pd1 S1 84.53(5) . . ?
N1 Pd1 P1 176.90(5) . . ?
C11 S1 Pd1 100.79(7) . . ?
C14 P1 Pd1 112.94(7) . . ?
C14 P1 C26 106.11(9) . . ?
C20 P1 Pd1 112.55(7) . . ?
C20 P1 C14 105.87(9) . . ?
C20 P1 C26 105.31(10) . . ?
C26 P1 Pd1 113.40(7) . . ?
C1 O1 H1 103(2) . . ?
N2 N1 Pd1 117.81(13) . . ?
C9 N1 Pd1 135.65(14) . . ?
C9 N1 N2 106.37(16) . . ?
N1 N2 C11 121.05(17) . . ?
C10 N2 N1 110.66(16) . . ?
C10 N2 C11 128.19(17) . . ?
C11 N3 C12 119.08(18) . . ?
O1 C1 C2 117.4(2) . . ?
O1 C1 C6 122.65(19) . . ?
C2 C1 C6 119.9(2) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 C1 119.9(2) . . ?
C3 C2 H2 120.1 . . ?
C2 C3 H3 119.3 . . ?
C2 C3 C4 121.4(2) . . ?
C4 C3 H3 119.3 . . ?
C3 C4 H4 120.6 . . ?
C5 C4 C3 118.9(2) . . ?
C5 C4 H4 120.6 . . ?
C4 C5 H5 119.4 . . ?
C4 C5 C6 121.2(2) . . ?
C6 C5 H5 119.4 . . ?
C1 C6 C5 118.7(2) . . ?
C1 C6 C7 119.27(18) . . ?
C5 C6 C7 122.0(2) . . ?
O2 C7 C6 120.37(19) . . ?
O2 C7 C8 117.25(19) . . ?
C8 C7 C6 122.37(18) . . ?
C9 C8 C7 133.75(19) . . ?
C10 C8 C7 121.48(19) . . ?
C10 C8 C9 104.66(19) . . ?
N1 C9 C8 110.51(18) . . ?
N1 C9 H9 124.7 . . ?
C8 C9 H9 124.7 . . ?
N2 C10 C8 107.78(18) . . ?
N2 C10 H10 126.1 . . ?
C8 C10 H10 126.1 . . ?
N2 C11 S1 115.70(14) . . ?
N3 C11 S1 129.61(17) . . ?
N3 C11 N2 114.65(18) . . ?
N3 C12 H12A 109.5 . . ?
N3 C12 H12B 109.5 . . ?
N3 C12 C13 110.50(19) . . ?
H12A C12 H12B 108.1 . . ?
C13 C12 H12A 109.5 . . ?
C13 C12 H12B 109.5 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 P1 119.33(16) . . ?
C19 C14 P1 121.30(15) . . ?
C19 C14 C15 119.36(19) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 C14 120.2(2) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 119.9 . . ?
C15 C16 C17 120.1(2) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 120.1(2) . . ?
C18 C17 H17 120.0 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 120.1(2) . . ?
C19 C18 H18 120.0 . . ?
C14 C19 H19 119.9 . . ?
C18 C19 C14 120.2(2) . . ?
C18 C19 H19 119.9 . . ?
C21 C20 P1 119.14(16) . . ?
C25 C20 P1 121.10(16) . . ?
C25 C20 C21 119.74(18) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 C20 120.0(2) . . ?
C22 C21 H21 120.0 . . ?
C21 C22 H22 120.2 . . ?
C23 C22 C21 119.6(2) . . ?
C23 C22 H22 120.2 . . ?
C22 C23 H23 119.6 . . ?
C22 C23 C24 120.7(2) . . ?
C24 C23 H23 119.6 . . ?
C23 C24 H24 120.2 . . ?
C25 C24 C23 119.5(2) . . ?
C25 C24 H24 120.2 . . ?
C20 C25 H25 119.8 . . ?
C24 C25 C20 120.4(2) . . ?
C24 C25 H25 119.8 . . ?
C27 C26 P1 119.34(15) . . ?
C31 C26 P1 121.86(16) . . ?
C31 C26 C27 118.5(2) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 C26 120.68(19) . . ?
C28 C27 H27 119.7 . . ?
C27 C28 H28 119.9 . . ?
C29 C28 C27 120.3(2) . . ?
C29 C28 H28 119.9 . . ?
C28 C29 H29 120.2 . . ?
C28 C29 C30 119.5(2) . . ?
C30 C29 H29 120.2 . . ?
C29 C30 H30 119.8 . . ?
C31 C30 C29 120.4(2) . . ?
C31 C30 H30 119.8 . . ?
C26 C31 H31 119.7 . . ?
C30 C31 C26 120.6(2) . . ?
C30 C31 H31 119.7 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
