# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_exp_6910
_database_code_depnum_ccdc_archive 'CCDC 2117109'
loop_
_audit_author_name
_audit_author_address
'Chau Ming So'
;The Hong Kong Polytechnic University
Hong Kong
;
_audit_update_record             
;
2021-10-21 deposited with the CCDC.	2022-03-03 downloaded from the CCDC.
;
_audit_creation_date             2019-06-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        PAdSelectPhos
_chemical_formula_moiety         'C35 H48 N P'
_chemical_formula_sum            'C35 H48 N P'
_chemical_formula_weight         513.71
_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'
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'

_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                   10.6770(8)
_cell_length_b                   11.8045(10)
_cell_length_c                   12.4452(9)
_cell_angle_alpha                96.831(6)
_cell_angle_beta                 101.037(6)
_cell_angle_gamma                111.157(7)
_cell_volume                     1405.1(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3277
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.6670
_cell_measurement_theta_min      3.0070
_shelx_estimated_absorpt_T_max   0.968
_shelx_estimated_absorpt_T_min   0.964
_exptl_absorpt_coefficient_mu    0.123
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.89425
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.214
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.27
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0225
_diffrn_reflns_av_unetI/netI     0.0399
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11455
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.702
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1213
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -14.00  30.00   1.00    5.00    --   15.49  19.00  30.00   44
  2  ω     51.00  86.00   1.00    5.00    --   15.49  19.00  30.00   35
  3  ω     40.00  66.00   1.00    5.00    --   15.49  57.00  90.00   26
  4  ω     -3.00  85.00   1.00    5.00    --   15.49  38.00 -90.00   88
  5  ω    -23.00  32.00   1.00    5.00    --   15.49 -57.00 120.00   55
  6  ω    -25.00  54.00   1.00    5.00    --   15.49 -99.00  90.00   79
  7  ω    -25.00  22.00   1.00    5.00    --  -16.28 -99.00 -60.00   47
  8  ω     36.00  62.00   1.00    5.00    --   15.49 178.00  60.00   26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0236709000
_diffrn_orient_matrix_UB_12      0.0408939000
_diffrn_orient_matrix_UB_13      -0.0269012000
_diffrn_orient_matrix_UB_21      0.0636974000
_diffrn_orient_matrix_UB_22      0.0250928000
_diffrn_orient_matrix_UB_23      -0.0151855000
_diffrn_orient_matrix_UB_31      -0.0283538000
_diffrn_orient_matrix_UB_32      -0.0450796000
_diffrn_orient_matrix_UB_33      -0.0506575000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4338
_reflns_number_total             5514
_reflns_odcompleteness_completeness 99.86
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 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         0.275
_refine_diff_density_min         -0.217
_refine_diff_density_rms         0.039
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         5514
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0450
_refine_ls_restrained_S_all      1.051
_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)+(0.0422P)²+0.4038P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1007
_refine_ls_wR_factor_ref         0.1127
_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 Ternary CH refined with riding coordinates:
 C13(H13), C29(H29), C18(H18), C15(H15), C5(H5), C3(H3), C8(H8)
2.b Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B), C2(H2A,H2B), C17(H17A,H17B), C16(H16A,H16B), C6(H6A,H6B),
 C19(H19A,H19B), C9(H9A,H9B), C34(H34A,H34B), C20(H20A,H20B), C4(H4A,H4B),
 C14(H14A,H14B), C30(H30A,H30B), C31(H31A,H31B), C33(H33A,H33B), C32(H32A,H32B),
  C10(H10A,H10B), C7(H7A,H7B)
2.c Aromatic/amide H refined with riding coordinates:
 C23(H23), C26(H26), C24(H24), C25(H25)
2.d Idealised Me refined as rotating group:
 C35(H35A,H35B,H35C)
;
_atom_sites_solution_hydrogens   geom
_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
P1 P 0.44775(5) 0.62636(4) 0.66086(4) 0.02757(13) Uani 1 1 d . . . . .
N1 N 0.25058(16) 0.50951(15) 0.89187(12) 0.0389(4) Uani 1 1 d . . . . .
C11 C 0.35028(17) 0.69793(15) 0.56502(13) 0.0279(4) Uani 1 1 d . . . . .
C12 C 0.39997(18) 0.83971(16) 0.58152(15) 0.0316(4) Uani 1 1 d . . . . .
H12A H 0.495502 0.875042 0.576605 0.038 Uiso 1 1 calc R . . . .
H12B H 0.396378 0.873529 0.655284 0.038 Uiso 1 1 calc R . . . .
C21 C 0.37635(18) 0.61630(16) 0.78267(13) 0.0299(4) Uani 1 1 d . . . . .
C1 C 0.63694(18) 0.73157(16) 0.71414(14) 0.0291(4) Uani 1 1 d . . . . .
C13 C 0.30795(19) 0.87526(17) 0.49182(15) 0.0358(4) Uani 1 1 d . . . . .
H13 H 0.341156 0.965880 0.503755 0.043 Uiso 1 1 calc R . . . .
C28 C 0.32148(18) 0.50168(17) 0.81097(14) 0.0311(4) Uani 1 1 d . . . . .
C2 C 0.70013(19) 0.75387(19) 0.61338(15) 0.0370(4) Uani 1 1 d . . . . .
H2A H 0.676431 0.674866 0.564384 0.044 Uiso 1 1 calc R . . . .
H2B H 0.661285 0.802794 0.571342 0.044 Uiso 1 1 calc R . . . .
C17 C 0.19739(18) 0.64464(16) 0.57149(15) 0.0343(4) Uani 1 1 d . . . . .
H17A H 0.163523 0.554924 0.560202 0.041 Uiso 1 1 calc R . . . .
H17B H 0.191467 0.676139 0.645159 0.041 Uiso 1 1 calc R . . . .
C29 C 0.34092(18) 0.38522(16) 0.77165(14) 0.0325(4) Uani 1 1 d . . . . .
H29 H 0.401478 0.406956 0.720774 0.039 Uiso 1 1 calc R . . . .
C16 C 0.3534(2) 0.64653(17) 0.44584(14) 0.0361(4) Uani 1 1 d . . . . .
H16A H 0.448252 0.678542 0.438935 0.043 Uiso 1 1 calc R . . . .
H16B H 0.320093 0.556780 0.433385 0.043 Uiso 1 1 calc R . . . .
C22 C 0.34064(19) 0.70077(17) 0.85367(14) 0.0339(4) Uani 1 1 d . . . . .
C18 C 0.10642(19) 0.68089(17) 0.48235(15) 0.0382(4) Uani 1 1 d . . . . .
H18 H 0.010214 0.646592 0.488282 0.046 Uiso 1 1 calc R . . . .
C6 C 0.70291(19) 0.65461(17) 0.77880(15) 0.0361(4) Uani 1 1 d . . . . .
H6A H 0.665790 0.639749 0.843458 0.043 Uiso 1 1 calc R . . . .
H6B H 0.679056 0.574840 0.731021 0.043 Uiso 1 1 calc R . . . .
C27 C 0.26126(19) 0.62950(19) 0.91866(15) 0.0387(5) Uani 1 1 d . . . . .
C15 C 0.2631(2) 0.68322(19) 0.35715(15) 0.0413(5) Uani 1 1 d . . . . .
H15 H 0.267571 0.650151 0.282590 0.050 Uiso 1 1 calc R . . . .
C19 C 0.1586(2) 0.82183(18) 0.50170(16) 0.0396(4) Uani 1 1 d . . . . .
H19A H 0.154207 0.854618 0.575503 0.048 Uiso 1 1 calc R . . . .
H19B H 0.100396 0.845553 0.446760 0.048 Uiso 1 1 calc R . . . .
C9 C 0.6774(2) 0.85629(18) 0.79326(16) 0.0414(5) Uani 1 1 d . . . . .
H9A H 0.641143 0.842212 0.858435 0.050 Uiso 1 1 calc R . . . .
H9B H 0.637303 0.907183 0.755450 0.050 Uiso 1 1 calc R . . . .
C5 C 0.8613(2) 0.72244(18) 0.81724(15) 0.0403(5) Uani 1 1 d . . . . .
H5 H 0.900492 0.671780 0.857874 0.048 Uiso 1 1 calc R . . . .
C3 C 0.8583(2) 0.8219(2) 0.65184(17) 0.0460(5) Uani 1 1 d . . . . .
H3 H 0.896176 0.836213 0.586624 0.055 Uiso 1 1 calc R . . . .
C34 C 0.4208(2) 0.34621(18) 0.86650(16) 0.0430(5) Uani 1 1 d . . . . .
H34A H 0.509462 0.414191 0.901708 0.052 Uiso 1 1 calc R . . . .
H34B H 0.368627 0.328988 0.922624 0.052 Uiso 1 1 calc R . . . .
C20 C 0.1125(2) 0.62979(19) 0.36607(16) 0.0466(5) Uani 1 1 d . . . . .
H20A H 0.054600 0.652500 0.309947 0.056 Uiso 1 1 calc R . . . .
H20B H 0.077956 0.539948 0.352997 0.056 Uiso 1 1 calc R . . . .
C23 C 0.3674(2) 0.82751(19) 0.87141(16) 0.0435(5) Uani 1 1 d . . . . .
H23 H 0.420245 0.877936 0.830871 0.052 Uiso 1 1 calc R . . . .
C4 C 0.9202(2) 0.7441(2) 0.71557(17) 0.0445(5) Uani 1 1 d . . . . .
H4A H 1.020412 0.786791 0.739561 0.053 Uiso 1 1 calc R . . . .
H4B H 0.897950 0.665057 0.667173 0.053 Uiso 1 1 calc R . . . .
C14 C 0.3157(2) 0.82440(19) 0.37604(15) 0.0426(5) Uani 1 1 d . . . . .
H14A H 0.410871 0.858768 0.370093 0.051 Uiso 1 1 calc R . . . .
H14B H 0.259419 0.848092 0.319485 0.051 Uiso 1 1 calc R . . . .
C30 C 0.2089(2) 0.27636(18) 0.70217(16) 0.0437(5) Uani 1 1 d . . . . .
H30A H 0.142034 0.253780 0.746935 0.052 Uiso 1 1 calc R . . . .
H30B H 0.168190 0.301898 0.637755 0.052 Uiso 1 1 calc R . . . .
C8 C 0.8365(2) 0.92416(19) 0.83006(19) 0.0516(6) Uani 1 1 d . . . . .
H8 H 0.861154 1.004417 0.879109 0.062 Uiso 1 1 calc R . . . .
C31 C 0.2384(2) 0.16409(19) 0.66265(17) 0.0503(5) Uani 1 1 d . . . . .
H31A H 0.151753 0.095428 0.623891 0.060 Uiso 1 1 calc R . . . .
H31B H 0.295808 0.183376 0.610196 0.060 Uiso 1 1 calc R . . . .
C33 C 0.4455(2) 0.2319(2) 0.82409(18) 0.0510(5) Uani 1 1 d . . . . .
H33A H 0.508794 0.252603 0.776189 0.061 Uiso 1 1 calc R . . . .
H33B H 0.488739 0.206057 0.887102 0.061 Uiso 1 1 calc R . . . .
C26 C 0.2084(2) 0.6802(2) 0.99719(17) 0.0536(6) Uani 1 1 d . . . . .
H26 H 0.155812 0.631175 1.038737 0.064 Uiso 1 1 calc R . . . .
C35 C 0.1680(2) 0.4119(2) 0.94056(19) 0.0573(6) Uani 1 1 d . . . . .
H35A H 0.072019 0.399147 0.916895 0.086 Uiso 1 1 calc GR . . . .
H35B H 0.198560 0.435701 1.020650 0.086 Uiso 1 1 calc GR . . . .
H35C H 0.178775 0.336460 0.916312 0.086 Uiso 1 1 calc GR . . . .
C24 C 0.3152(2) 0.8775(2) 0.94937(18) 0.0544(6) Uani 1 1 d . . . . .
H24 H 0.333031 0.961787 0.960792 0.065 Uiso 1 1 calc R . . . .
C32 C 0.3117(2) 0.12591(19) 0.75942(18) 0.0521(6) Uani 1 1 d . . . . .
H32A H 0.251427 0.100211 0.808917 0.063 Uiso 1 1 calc R . . . .
H32B H 0.331666 0.055777 0.731228 0.063 Uiso 1 1 calc R . . . .
C10 C 0.8993(2) 0.8464(2) 0.89362(17) 0.0513(6) Uani 1 1 d . . . . .
H10A H 0.999479 0.889644 0.917929 0.062 Uiso 1 1 calc R . . . .
H10B H 0.863993 0.833386 0.959331 0.062 Uiso 1 1 calc R . . . .
C25 C 0.2364(3) 0.8037(3) 1.01087(18) 0.0604(7) Uani 1 1 d . . . . .
H25 H 0.202078 0.839559 1.062575 0.073 Uiso 1 1 calc R . . . .
C7 C 0.8939(2) 0.9455(2) 0.7282(2) 0.0570(6) Uani 1 1 d . . . . .
H7A H 0.993911 0.990256 0.751858 0.068 Uiso 1 1 calc R . . . .
H7B H 0.854725 0.995372 0.687933 0.068 Uiso 1 1 calc R . . . .


_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
P1 C11 1.9023(17) . ?
P1 C21 1.8203(17) . ?
P1 C1 1.8822(18) . ?
N1 C28 1.384(2) . ?
N1 C27 1.374(2) . ?
N1 C35 1.452(2) . ?
C11 C12 1.536(2) . ?
C11 C17 1.545(2) . ?
C11 C16 1.545(2) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.542(2) . ?
C21 C28 1.385(2) . ?
C21 C22 1.454(2) . ?
C1 C2 1.540(2) . ?
C1 C6 1.545(2) . ?
C1 C9 1.535(2) . ?
C13 H13 0.9800 . ?
C13 C19 1.524(3) . ?
C13 C14 1.523(3) . ?
C28 C29 1.503(2) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 C3 1.531(3) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.535(2) . ?
C29 H29 0.9800 . ?
C29 C34 1.537(2) . ?
C29 C30 1.532(3) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C15 1.531(2) . ?
C22 C27 1.411(3) . ?
C22 C23 1.399(3) . ?
C18 H18 0.9800 . ?
C18 C19 1.523(3) . ?
C18 C20 1.523(3) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C5 1.533(3) . ?
C27 C26 1.395(3) . ?
C15 H15 0.9800 . ?
C15 C20 1.532(3) . ?
C15 C14 1.526(3) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C8 1.540(3) . ?
C5 H5 0.9800 . ?
C5 C4 1.526(3) . ?
C5 C10 1.518(3) . ?
C3 H3 0.9800 . ?
C3 C4 1.523(3) . ?
C3 C7 1.519(3) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C34 C33 1.520(3) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C23 H23 0.9300 . ?
C23 C24 1.382(3) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 C31 1.518(3) . ?
C8 H8 0.9800 . ?
C8 C10 1.527(3) . ?
C8 C7 1.519(3) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 C32 1.513(3) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C33 C32 1.512(3) . ?
C26 H26 0.9300 . ?
C26 C25 1.361(3) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C24 H24 0.9300 . ?
C24 C25 1.389(3) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C25 H25 0.9300 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?

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
C21 P1 C11 106.24(7) . . ?
C21 P1 C1 106.24(8) . . ?
C1 P1 C11 111.12(8) . . ?
C28 N1 C35 129.37(17) . . ?
C27 N1 C28 108.92(15) . . ?
C27 N1 C35 121.59(17) . . ?
C12 C11 P1 120.03(12) . . ?
C12 C11 C17 108.18(14) . . ?
C12 C11 C16 108.33(14) . . ?
C17 C11 P1 107.40(11) . . ?
C17 C11 C16 107.32(14) . . ?
C16 C11 P1 104.96(11) . . ?
C11 C12 H12A 109.6 . . ?
C11 C12 H12B 109.6 . . ?
C11 C12 C13 110.48(14) . . ?
H12A C12 H12B 108.1 . . ?
C13 C12 H12A 109.6 . . ?
C13 C12 H12B 109.6 . . ?
C28 C21 P1 118.79(13) . . ?
C28 C21 C22 106.29(15) . . ?
C22 C21 P1 134.10(13) . . ?
C2 C1 P1 108.67(12) . . ?
C2 C1 C6 107.47(14) . . ?
C6 C1 P1 104.47(12) . . ?
C9 C1 P1 118.74(12) . . ?
C9 C1 C2 109.53(15) . . ?
C9 C1 C6 107.35(14) . . ?
C12 C13 H13 109.3 . . ?
C19 C13 C12 109.26(15) . . ?
C19 C13 H13 109.3 . . ?
C14 C13 C12 109.63(15) . . ?
C14 C13 H13 109.3 . . ?
C14 C13 C19 110.12(16) . . ?
N1 C28 C21 109.67(15) . . ?
N1 C28 C29 121.95(15) . . ?
C21 C28 C29 128.20(16) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 108.0 . . ?
C3 C2 C1 110.93(15) . . ?
C3 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
C11 C17 H17A 109.5 . . ?
C11 C17 H17B 109.5 . . ?
H17A C17 H17B 108.1 . . ?
C18 C17 C11 110.73(14) . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
C28 C29 H29 105.4 . . ?
C28 C29 C34 112.66(14) . . ?
C28 C29 C30 115.19(15) . . ?
C34 C29 H29 105.4 . . ?
C30 C29 H29 105.4 . . ?
C30 C29 C34 111.89(15) . . ?
C11 C16 H16A 109.4 . . ?
C11 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
C15 C16 C11 111.21(14) . . ?
C15 C16 H16A 109.4 . . ?
C15 C16 H16B 109.4 . . ?
C27 C22 C21 106.51(16) . . ?
C23 C22 C21 136.07(18) . . ?
C23 C22 C27 117.41(17) . . ?
C17 C18 H18 109.3 . . ?
C19 C18 C17 109.24(15) . . ?
C19 C18 H18 109.3 . . ?
C20 C18 C17 110.04(15) . . ?
C20 C18 H18 109.3 . . ?
C20 C18 C19 109.61(16) . . ?
C1 C6 H6A 109.4 . . ?
C1 C6 H6B 109.4 . . ?
H6A C6 H6B 108.0 . . ?
C5 C6 C1 111.01(15) . . ?
C5 C6 H6A 109.4 . . ?
C5 C6 H6B 109.4 . . ?
N1 C27 C22 108.57(16) . . ?
N1 C27 C26 128.7(2) . . ?
C26 C27 C22 122.7(2) . . ?
C16 C15 H15 109.5 . . ?
C16 C15 C20 109.39(16) . . ?
C20 C15 H15 109.5 . . ?
C14 C15 C16 109.54(16) . . ?
C14 C15 H15 109.5 . . ?
C14 C15 C20 109.44(16) . . ?
C13 C19 H19A 109.8 . . ?
C13 C19 H19B 109.8 . . ?
C18 C19 C13 109.37(15) . . ?
C18 C19 H19A 109.8 . . ?
C18 C19 H19B 109.8 . . ?
H19A C19 H19B 108.2 . . ?
C1 C9 H9A 109.7 . . ?
C1 C9 H9B 109.7 . . ?
C1 C9 C8 109.88(15) . . ?
H9A C9 H9B 108.2 . . ?
C8 C9 H9A 109.7 . . ?
C8 C9 H9B 109.7 . . ?
C6 C5 H5 109.4 . . ?
C4 C5 C6 109.56(15) . . ?
C4 C5 H5 109.4 . . ?
C10 C5 C6 109.70(16) . . ?
C10 C5 H5 109.4 . . ?
C10 C5 C4 109.36(18) . . ?
C2 C3 H3 109.6 . . ?
C4 C3 C2 109.70(16) . . ?
C4 C3 H3 109.6 . . ?
C7 C3 C2 108.91(17) . . ?
C7 C3 H3 109.6 . . ?
C7 C3 C4 109.40(17) . . ?
C29 C34 H34A 109.2 . . ?
C29 C34 H34B 109.2 . . ?
H34A C34 H34B 107.9 . . ?
C33 C34 C29 111.87(16) . . ?
C33 C34 H34A 109.2 . . ?
C33 C34 H34B 109.2 . . ?
C18 C20 C15 109.20(15) . . ?
C18 C20 H20A 109.8 . . ?
C18 C20 H20B 109.8 . . ?
C15 C20 H20A 109.8 . . ?
C15 C20 H20B 109.8 . . ?
H20A C20 H20B 108.3 . . ?
C22 C23 H23 120.1 . . ?
C24 C23 C22 119.8(2) . . ?
C24 C23 H23 120.1 . . ?
C5 C4 H4A 109.8 . . ?
C5 C4 H4B 109.8 . . ?
C3 C4 C5 109.40(15) . . ?
C3 C4 H4A 109.8 . . ?
C3 C4 H4B 109.8 . . ?
H4A C4 H4B 108.2 . . ?
C13 C14 C15 109.27(15) . . ?
C13 C14 H14A 109.8 . . ?
C13 C14 H14B 109.8 . . ?
C15 C14 H14A 109.8 . . ?
C15 C14 H14B 109.8 . . ?
H14A C14 H14B 108.3 . . ?
C29 C30 H30A 109.3 . . ?
C29 C30 H30B 109.3 . . ?
H30A C30 H30B 107.9 . . ?
C31 C30 C29 111.78(16) . . ?
C31 C30 H30A 109.3 . . ?
C31 C30 H30B 109.3 . . ?
C9 C8 H8 109.2 . . ?
C10 C8 C9 109.75(18) . . ?
C10 C8 H8 109.2 . . ?
C7 C8 C9 109.91(17) . . ?
C7 C8 H8 109.2 . . ?
C7 C8 C10 109.46(17) . . ?
C30 C31 H31A 109.3 . . ?
C30 C31 H31B 109.3 . . ?
H31A C31 H31B 108.0 . . ?
C32 C31 C30 111.50(17) . . ?
C32 C31 H31A 109.3 . . ?
C32 C31 H31B 109.3 . . ?
C34 C33 H33A 109.3 . . ?
C34 C33 H33B 109.3 . . ?
H33A C33 H33B 107.9 . . ?
C32 C33 C34 111.66(17) . . ?
C32 C33 H33A 109.3 . . ?
C32 C33 H33B 109.3 . . ?
C27 C26 H26 121.1 . . ?
C25 C26 C27 117.7(2) . . ?
C25 C26 H26 121.1 . . ?
N1 C35 H35A 109.5 . . ?
N1 C35 H35B 109.5 . . ?
N1 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C23 C24 H24 119.5 . . ?
C23 C24 C25 120.9(2) . . ?
C25 C24 H24 119.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C33 C32 C31 110.91(17) . . ?
C33 C32 H32A 109.5 . . ?
C33 C32 H32B 109.5 . . ?
H32A C32 H32B 108.0 . . ?
C5 C10 C8 109.04(16) . . ?
C5 C10 H10A 109.9 . . ?
C5 C10 H10B 109.9 . . ?
C8 C10 H10A 109.9 . . ?
C8 C10 H10B 109.9 . . ?
H10A C10 H10B 108.3 . . ?
C26 C25 C24 121.5(2) . . ?
C26 C25 H25 119.3 . . ?
C24 C25 H25 119.3 . . ?
C3 C7 H7A 109.7 . . ?
C3 C7 H7B 109.7 . . ?
C8 C7 C3 109.98(17) . . ?
C8 C7 H7A 109.7 . . ?
C8 C7 H7B 109.7 . . ?
H7A C7 H7B 108.2 . . ?

_olex2_date_sample_data_collection 2019-06-10
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.227
_oxdiff_exptl_absorpt_empirical_full_min 0.780
