# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 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_r20210106d
_database_code_depnum_ccdc_archive 'CCDC 2059146'
loop_
_audit_author_name
_audit_author_address
'Wenbin Huang'
;Nankai University
China
;
_audit_update_record             
;
2021-01-27 deposited with the CCDC.	2021-08-19 downloaded from the CCDC.
;
_audit_creation_date             2021-01-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.01.04 svn.r3372 for OlexSys, GUI svn.r5292)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H24 N O3 P'
_chemical_formula_sum            'C22 H24 N O3 P'
_chemical_formula_weight         381.39
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C11 H10 N O'
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'

_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.5354(3)
_cell_length_b                   13.7676(5)
_cell_length_c                   15.1853(4)
_cell_angle_alpha                90
_cell_angle_beta                 90.373(3)
_cell_angle_gamma                90
_cell_volume                     1993.48(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    14770
_cell_measurement_temperature    113.15
_cell_measurement_theta_max      32.7460
_cell_measurement_theta_min      1.9860
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.160
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87780
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.271
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0565
_diffrn_reflns_av_unetI/netI     0.0392
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            24933
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.696
_diffrn_reflns_theta_min         1.997
_diffrn_ambient_temperature      113.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_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   -115.00  65.00   1.00    1.00    --  -25.00  45.00   0.00  180
  2  ω   -115.00  65.00   1.00    1.00    --  -25.00  45.00  90.00  180
  3  ω   -115.00  65.00   1.00    1.00    --  -25.00  45.00 180.00  180
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  'Rigaku Saturn 70'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0066445000
_diffrn_orient_matrix_UB_12      0.0123319000
_diffrn_orient_matrix_UB_13      -0.0451310000
_diffrn_orient_matrix_UB_21      0.0738872000
_diffrn_orient_matrix_UB_22      0.0025425000
_diffrn_orient_matrix_UB_23      0.0051685000
_diffrn_orient_matrix_UB_31      0.0053630000
_diffrn_orient_matrix_UB_32      -0.0499732000
_diffrn_orient_matrix_UB_33      -0.0108421000
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'rotating anode'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4348
_reflns_number_total             5152
_reflns_odcompleteness_completeness 99.85
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     28.64
_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 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_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         0.371
_refine_diff_density_min         -0.322
_refine_diff_density_rms         0.051
_refine_ls_extinction_coef       0.0091(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     249
_refine_ls_number_reflns         5152
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0517
_refine_ls_R_factor_gt           0.0415
_refine_ls_restrained_S_all      1.041
_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)+(0.0433P)²+0.8115P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0991
_refine_ls_wR_factor_ref         0.1055
_refine_special_details          ?
_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, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C7(H7)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C6(H6), C10(H10), C11(H11), C12(H12), C13(H13), C14(H14),
 C16(H16), C17(H17), C18(H18), C19(H19), C20(H20)
2.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C)
2.d Idealised tetrahedral OH refined as rotating group:
 O1(H1)
;
_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 0.69797(3) 0.41158(2) 0.69163(2) 0.01562(10) Uani 1 1 d . . . . .
O1 O 0.48406(10) 0.15973(7) 0.78508(7) 0.0237(2) Uani 1 1 d . . . . .
H1 H 0.439168 0.112220 0.805132 0.036 Uiso 1 1 calc GR . . . .
O2 O 0.15019(12) 0.48784(8) 0.79132(8) 0.0316(3) Uani 1 1 d . . . . .
O3 O 0.65379(10) 0.50851(7) 0.65610(6) 0.0209(2) Uani 1 1 d . . . . .
N1 N 0.54862(12) 0.29224(9) 0.58410(8) 0.0219(3) Uani 1 1 d . . . . .
C1 C 0.40062(14) 0.24060(10) 0.78572(9) 0.0184(3) Uani 1 1 d . . . . .
C2 C 0.44169(13) 0.32082(10) 0.73560(8) 0.0168(3) Uani 1 1 d . . . . .
C3 C 0.35959(14) 0.40496(10) 0.73739(9) 0.0199(3) Uani 1 1 d . . . . .
H3 H 0.387171 0.460108 0.704120 0.024 Uiso 1 1 calc R . . . .
C4 C 0.23796(15) 0.40876(10) 0.78738(9) 0.0219(3) Uani 1 1 d . . . . .
C5 C 0.19816(15) 0.32864(11) 0.83690(9) 0.0239(3) Uani 1 1 d . . . . .
H5 H 0.115449 0.331241 0.871369 0.029 Uiso 1 1 calc R . . . .
C6 C 0.27864(15) 0.24513(11) 0.83614(9) 0.0222(3) Uani 1 1 d . . . . .
H6 H 0.250915 0.190517 0.870065 0.027 Uiso 1 1 calc R . . . .
C7 C 0.57185(14) 0.31238(10) 0.67845(8) 0.0169(3) Uani 1 1 d . . . . .
H7 H 0.621956 0.253662 0.701284 0.020 Uiso 1 1 calc R . . . .
C8 C 0.1631(2) 0.55768(14) 0.72388(14) 0.0445(5) Uani 1 1 d . . . . .
H8A H 0.160910 0.525204 0.666465 0.067 Uiso 1 1 calc GR . . . .
H8B H 0.252209 0.592418 0.730919 0.067 Uiso 1 1 calc GR . . . .
H8C H 0.085262 0.603946 0.727421 0.067 Uiso 1 1 calc GR . . . .
C9 C 0.74056(14) 0.41649(10) 0.80745(9) 0.0190(3) Uani 1 1 d . . . . .
C10 C 0.78554(17) 0.50539(11) 0.84071(10) 0.0275(3) Uani 1 1 d . . . . .
H10 H 0.790105 0.560338 0.802991 0.033 Uiso 1 1 calc R . . . .
C11 C 0.8238(2) 0.51429(13) 0.92863(11) 0.0356(4) Uani 1 1 d . . . . .
H11 H 0.854388 0.575231 0.950922 0.043 Uiso 1 1 calc R . . . .
C12 C 0.81737(18) 0.43425(13) 0.98413(10) 0.0328(4) Uani 1 1 d . . . . .
H12 H 0.843673 0.440491 1.044315 0.039 Uiso 1 1 calc R . . . .
C13 C 0.77270(16) 0.34541(12) 0.95182(10) 0.0283(3) Uani 1 1 d . . . . .
H13 H 0.768239 0.290671 0.989793 0.034 Uiso 1 1 calc R . . . .
C14 C 0.73431(15) 0.33636(11) 0.86361(9) 0.0237(3) Uani 1 1 d . . . . .
H14 H 0.703704 0.275337 0.841510 0.028 Uiso 1 1 calc R . . . .
C15 C 0.85182(14) 0.36901(10) 0.63497(9) 0.0176(3) Uani 1 1 d . . . . .
C16 C 0.87614(16) 0.39982(12) 0.54921(10) 0.0276(3) Uani 1 1 d . . . . .
H16 H 0.814125 0.444838 0.521915 0.033 Uiso 1 1 calc R . . . .
C17 C 0.99126(17) 0.36468(13) 0.50345(10) 0.0325(4) Uani 1 1 d . . . . .
H17 H 1.007411 0.385500 0.444739 0.039 Uiso 1 1 calc R . . . .
C18 C 1.08232(15) 0.29963(12) 0.54292(10) 0.0268(3) Uani 1 1 d . . . . .
H18 H 1.159992 0.274984 0.511045 0.032 Uiso 1 1 calc R . . . .
C19 C 1.06039(16) 0.27048(12) 0.62862(10) 0.0295(3) Uani 1 1 d . . . . .
H19 H 1.124092 0.226824 0.656218 0.035 Uiso 1 1 calc R . . . .
C20 C 0.94522(16) 0.30494(11) 0.67458(9) 0.0257(3) Uani 1 1 d . . . . .
H20 H 0.930263 0.284521 0.733530 0.031 Uiso 1 1 calc R . . . .
C21 C 0.47075(18) 0.36675(12) 0.53597(10) 0.0313(4) Uani 1 1 d . . . . .
H21A H 0.373761 0.368519 0.556874 0.047 Uiso 1 1 calc GR . . . .
H21B H 0.471356 0.351604 0.472919 0.047 Uiso 1 1 calc GR . . . .
H21C H 0.514839 0.430162 0.545815 0.047 Uiso 1 1 calc GR . . . .
C22 C 0.48293(17) 0.19697(11) 0.57110(10) 0.0293(3) Uani 1 1 d . . . . .
H22A H 0.540398 0.146846 0.599575 0.044 Uiso 1 1 calc GR . . . .
H22B H 0.475339 0.183217 0.507930 0.044 Uiso 1 1 calc GR . . . .
H22C H 0.389141 0.197176 0.597114 0.044 Uiso 1 1 calc GR . . . .


_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 O3 1.4988(10) . ?
P1 C7 1.8299(14) . ?
P1 C9 1.8037(14) . ?
P1 C15 1.8034(13) . ?
O1 H1 0.8400 . ?
O1 C1 1.3685(16) . ?
O2 C4 1.3747(17) . ?
O2 C8 1.411(2) . ?
N1 C7 1.4746(17) . ?
N1 C21 1.460(2) . ?
N1 C22 1.4663(18) . ?
C1 C2 1.3985(18) . ?
C1 C6 1.3980(18) . ?
C2 C3 1.3986(19) . ?
C2 C7 1.5235(17) . ?
C3 H3 0.9500 . ?
C3 C4 1.3913(19) . ?
C4 C5 1.389(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.382(2) . ?
C6 H6 0.9500 . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.391(2) . ?
C9 C14 1.396(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.387(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.389(2) . ?
C12 H12 0.9500 . ?
C12 C13 1.384(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.392(2) . ?
C14 H14 0.9500 . ?
C15 C16 1.3906(19) . ?
C15 C20 1.388(2) . ?
C16 H16 0.9500 . ?
C16 C17 1.390(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.381(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.379(2) . ?
C19 H19 0.9500 . ?
C19 C20 1.389(2) . ?
C20 H20 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?

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
O3 P1 C7 116.24(6) . . ?
O3 P1 C9 112.25(6) . . ?
O3 P1 C15 110.20(6) . . ?
C9 P1 C7 106.15(6) . . ?
C15 P1 C7 103.97(6) . . ?
C15 P1 C9 107.38(6) . . ?
C1 O1 H1 109.5 . . ?
C4 O2 C8 116.88(12) . . ?
C21 N1 C7 115.27(12) . . ?
C21 N1 C22 110.23(12) . . ?
C22 N1 C7 111.12(11) . . ?
O1 C1 C2 118.27(12) . . ?
O1 C1 C6 121.73(12) . . ?
C6 C1 C2 119.98(12) . . ?
C1 C2 C7 118.80(12) . . ?
C3 C2 C1 119.00(12) . . ?
C3 C2 C7 122.16(12) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.69(13) . . ?
C4 C3 H3 119.7 . . ?
O2 C4 C3 124.29(13) . . ?
O2 C4 C5 115.89(12) . . ?
C5 C4 C3 119.81(13) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 C4 120.14(13) . . ?
C6 C5 H5 119.9 . . ?
C1 C6 H6 119.8 . . ?
C5 C6 C1 120.37(13) . . ?
C5 C6 H6 119.8 . . ?
P1 C7 H7 104.7 . . ?
N1 C7 P1 109.94(9) . . ?
N1 C7 C2 116.75(11) . . ?
N1 C7 H7 104.7 . . ?
C2 C7 P1 114.71(9) . . ?
C2 C7 H7 104.7 . . ?
O2 C8 H8A 109.5 . . ?
O2 C8 H8B 109.5 . . ?
O2 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 P1 117.00(11) . . ?
C10 C9 C14 119.20(13) . . ?
C14 C9 P1 123.78(11) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.38(14) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 119.9 . . ?
C10 C11 C12 120.11(15) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.05(14) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 120.0 . . ?
C12 C13 C14 119.91(14) . . ?
C14 C13 H13 120.0 . . ?
C9 C14 H14 119.8 . . ?
C13 C14 C9 120.35(14) . . ?
C13 C14 H14 119.8 . . ?
C16 C15 P1 119.26(11) . . ?
C20 C15 P1 121.44(10) . . ?
C20 C15 C16 119.29(13) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 C15 119.94(14) . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.33(14) . . ?
C18 C17 H17 119.8 . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 119.95(14) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 120.01(14) . . ?
C20 C19 H19 120.0 . . ?
C15 C20 C19 120.45(13) . . ?
C15 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
N1 C21 H21A 109.5 . . ?
N1 C21 H21B 109.5 . . ?
N1 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N1 C22 H22A 109.5 . . ?
N1 C22 H22B 109.5 . . ?
N1 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?

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 C9 C10 C11 -178.28(13) . . . . ?
P1 C9 C14 C13 178.17(11) . . . . ?
P1 C15 C16 C17 -177.48(13) . . . . ?
P1 C15 C20 C19 177.75(12) . . . . ?
O1 C1 C2 C3 -178.30(12) . . . . ?
O1 C1 C2 C7 3.72(18) . . . . ?
O1 C1 C6 C5 178.58(13) . . . . ?
O2 C4 C5 C6 179.05(13) . . . . ?
O3 P1 C7 N1 63.73(11) . . . . ?
O3 P1 C7 C2 -70.22(11) . . . . ?
O3 P1 C9 C10 -26.28(13) . . . . ?
O3 P1 C9 C14 155.50(11) . . . . ?
O3 P1 C15 C16 -27.04(14) . . . . ?
O3 P1 C15 C20 154.04(12) . . . . ?
C1 C2 C3 C4 -0.7(2) . . . . ?
C1 C2 C7 P1 -130.27(11) . . . . ?
C1 C2 C7 N1 99.01(15) . . . . ?
C2 C1 C6 C5 -0.1(2) . . . . ?
C2 C3 C4 O2 -178.66(13) . . . . ?
C2 C3 C4 C5 0.7(2) . . . . ?
C3 C2 C7 P1 51.81(16) . . . . ?
C3 C2 C7 N1 -78.91(16) . . . . ?
C3 C4 C5 C6 -0.4(2) . . . . ?
C4 C5 C6 C1 0.1(2) . . . . ?
C6 C1 C2 C3 0.4(2) . . . . ?
C6 C1 C2 C7 -177.58(12) . . . . ?
C7 P1 C9 C10 -154.30(11) . . . . ?
C7 P1 C9 C14 27.49(14) . . . . ?
C7 P1 C15 C16 98.20(13) . . . . ?
C7 P1 C15 C20 -80.73(13) . . . . ?
C7 C2 C3 C4 177.18(12) . . . . ?
C8 O2 C4 C3 17.6(2) . . . . ?
C8 O2 C4 C5 -161.78(16) . . . . ?
C9 P1 C7 N1 -170.66(9) . . . . ?
C9 P1 C7 C2 55.39(11) . . . . ?
C9 P1 C15 C16 -149.58(12) . . . . ?
C9 P1 C15 C20 31.50(14) . . . . ?
C9 C10 C11 C12 0.0(3) . . . . ?
C10 C9 C14 C13 0.0(2) . . . . ?
C10 C11 C12 C13 0.0(3) . . . . ?
C11 C12 C13 C14 0.1(2) . . . . ?
C12 C13 C14 C9 0.0(2) . . . . ?
C14 C9 C10 C11 0.0(2) . . . . ?
C15 P1 C7 N1 -57.55(10) . . . . ?
C15 P1 C7 C2 168.50(10) . . . . ?
C15 P1 C9 C10 94.98(12) . . . . ?
C15 P1 C9 C14 -83.24(13) . . . . ?
C15 C16 C17 C18 -0.4(3) . . . . ?
C16 C15 C20 C19 -1.2(2) . . . . ?
C16 C17 C18 C19 -1.0(3) . . . . ?
C17 C18 C19 C20 1.3(3) . . . . ?
C18 C19 C20 C15 -0.2(3) . . . . ?
C20 C15 C16 C17 1.5(2) . . . . ?
C21 N1 C7 P1 -70.51(13) . . . . ?
C21 N1 C7 C2 62.40(16) . . . . ?
C22 N1 C7 P1 163.17(10) . . . . ?
C22 N1 C7 C2 -63.92(15) . . . . ?

_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.171
_oxdiff_exptl_absorpt_empirical_full_min 0.784
