# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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. 
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data_AX2646
_database_code_depnum_ccdc_archive 'CCDC 2339359'
loop_
_audit_author_name
_audit_author_address
'Anke Spannenberg'
;LIKAT
Germany
;
_audit_update_record             
;
2024-03-11 deposited with the CCDC.	2025-04-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/1
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C11 H13 O3 P'
_chemical_formula_weight         224.18

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   10.5361(4)
_cell_length_b                   8.4344(3)
_cell_length_c                   12.6771(5)
_cell_angle_alpha                90
_cell_angle_beta                 98.8044(13)
_cell_angle_gamma                90
_cell_volume                     1113.28(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9619
_cell_measurement_theta_min      5.09
_cell_measurement_theta_max      68.19

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.338
_exptl_crystal_F_000             472
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_absorpt_coefficient_mu    2.080
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.72
_exptl_absorpt_correction_T_max  0.89
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         microfocus
_diffrn_radiation_monochromator  multilayer
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14767
_diffrn_reflns_av_unetI/netI     0.0220
_diffrn_reflns_av_R_equivalents  0.0272
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         4.246
_diffrn_reflns_theta_max         68.208
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             4055
_reflns_number_gt                3937
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.852
_reflns_Friedel_fraction_max     0.988
_reflns_Friedel_fraction_full    0.992

_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.
;

_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2015b)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0483P)²+0.0743P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1780 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.015(7)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         4055
_refine_ls_number_parameters     273
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0257
_refine_ls_R_factor_gt           0.0250
_refine_ls_wR_factor_ref         0.0692
_refine_ls_wR_factor_gt          0.0681
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
C1 C 0.83635(17) 0.4071(2) 0.56396(14) 0.0203(4) Uani 1 1 d . . . . .
C2 C 0.8068(2) 0.2835(2) 0.62331(16) 0.0264(4) Uani 1 1 d . . . . .
H2 H 0.743098 0.205126 0.602524 0.032 Uiso 1 1 calc R U . . .
C3 C 0.8894(2) 0.2934(3) 0.72321(16) 0.0298(4) Uani 1 1 d . . . . .
H3 H 0.892085 0.222663 0.781835 0.036 Uiso 1 1 calc R U . . .
C4 C 0.9622(2) 0.4212(3) 0.71805(16) 0.0305(5) Uani 1 1 d . . . . .
H4 H 1.025812 0.457192 0.774216 0.037 Uiso 1 1 calc R U . . .
C5 C 0.71518(18) 0.6672(2) 0.44473(15) 0.0226(4) Uani 1 1 d . . . . .
C6 C 0.7503(2) 0.8103(3) 0.41013(17) 0.0271(4) Uani 1 1 d . . . . .
H6 H 0.819095 0.830598 0.371548 0.032 Uiso 1 1 calc R U . . .
C7 C 0.6642(2) 0.9249(3) 0.44271(18) 0.0313(5) Uani 1 1 d . . . . .
H7 H 0.664091 1.035914 0.430046 0.038 Uiso 1 1 calc R U . . .
C8 C 0.5832(2) 0.8433(3) 0.49506(17) 0.0319(5) Uani 1 1 d . . . . .
H8 H 0.515364 0.889481 0.525972 0.038 Uiso 1 1 calc R U . . .
C9 C 0.90806(18) 0.4974(2) 0.36264(16) 0.0223(4) Uani 1 1 d . . . . .
H9A H 0.879109 0.550419 0.293478 0.027 Uiso 1 1 calc R U . . .
H9B H 0.971786 0.567085 0.405478 0.027 Uiso 1 1 calc R U . . .
C10 C 0.9716(2) 0.3395(2) 0.34270(17) 0.0279(4) Uani 1 1 d . . . . .
H10A H 1.001440 0.287062 0.411919 0.034 Uiso 1 1 calc R U . . .
H10B H 0.907562 0.269316 0.300619 0.034 Uiso 1 1 calc R U . . .
C11 C 1.0855(2) 0.3625(3) 0.2828(2) 0.0370(5) Uani 1 1 d . . . . .
H11A H 1.055996 0.412962 0.213753 0.056 Uiso 1 1 calc R U . . .
H11B H 1.123622 0.259178 0.271166 0.056 Uiso 1 1 calc R U . . .
H11C H 1.149899 0.430034 0.324990 0.056 Uiso 1 1 calc R U . . .
C12 C 0.32948(16) 0.1863(2) 1.06699(15) 0.0205(4) Uani 1 1 d . . . . .
C13 C 0.28552(19) 0.0735(2) 1.12790(15) 0.0263(4) Uani 1 1 d . . . . .
H13 H 0.214870 0.004449 1.107125 0.032 Uiso 1 1 calc R U . . .
C14 C 0.3655(2) 0.0779(3) 1.22934(16) 0.0284(4) Uani 1 1 d . . . . .
H14 H 0.358531 0.012967 1.289424 0.034 Uiso 1 1 calc R U . . .
C15 C 0.4528(2) 0.1923(3) 1.22287(16) 0.0280(4) Uani 1 1 d . . . . .
H15 H 0.518808 0.221622 1.279212 0.034 Uiso 1 1 calc R U . . .
C16 C 0.21877(18) 0.4525(2) 0.94575(15) 0.0228(4) Uani 1 1 d . . . . .
C17 C 0.2561(2) 0.5946(3) 0.91165(18) 0.0288(4) Uani 1 1 d . . . . .
H17 H 0.327683 0.613940 0.876094 0.035 Uiso 1 1 calc R U . . .
C18 C 0.1675(2) 0.7104(3) 0.93919(18) 0.0326(5) Uani 1 1 d . . . . .
H18 H 0.168441 0.821134 0.925721 0.039 Uiso 1 1 calc R U . . .
C19 C 0.0826(2) 0.6302(3) 0.98812(17) 0.0319(5) Uani 1 1 d . . . . .
H19 H 0.012312 0.677242 1.015371 0.038 Uiso 1 1 calc R U . . .
C20 C 0.41144(18) 0.2745(2) 0.86879(16) 0.0236(4) Uani 1 1 d . . . . .
H20A H 0.386811 0.332280 0.800761 0.028 Uiso 1 1 calc R U . . .
H20B H 0.477132 0.338258 0.914413 0.028 Uiso 1 1 calc R U . . .
C21 C 0.4687(2) 0.1140(3) 0.84607(17) 0.0263(4) Uani 1 1 d . . . . .
H21A H 0.497781 0.058517 0.914300 0.032 Uiso 1 1 calc R U . . .
H21B H 0.401956 0.048057 0.803467 0.032 Uiso 1 1 calc R U . . .
C22 C 0.5816(2) 0.1341(3) 0.7855(2) 0.0360(5) Uani 1 1 d . . . . .
H22A H 0.552611 0.187509 0.717430 0.054 Uiso 1 1 calc R U . . .
H22B H 0.616662 0.029747 0.771961 0.054 Uiso 1 1 calc R U . . .
H22C H 0.648314 0.198065 0.828135 0.054 Uiso 1 1 calc R U . . .
O1 O 0.67361(13) 0.35471(18) 0.38462(11) 0.0274(3) Uani 1 1 d . . . . .
O2 O 0.93287(14) 0.49398(18) 0.62090(11) 0.0294(3) Uani 1 1 d . . . . .
O3 O 0.61192(14) 0.68510(19) 0.49772(12) 0.0293(3) Uani 1 1 d . . . . .
O4 O 0.16961(13) 0.14455(18) 0.88372(11) 0.0274(3) Uani 1 1 d . . . . .
O5 O 0.43348(14) 0.26041(18) 1.12401(11) 0.0268(3) Uani 1 1 d . . . . .
O6 O 0.11107(14) 0.47227(19) 0.99325(12) 0.0286(3) Uani 1 1 d . . . . .
P1 P 0.77320(4) 0.46981(5) 0.43164(3) 0.01871(14) Uani 1 1 d . . . . .
P2 P 0.27250(4) 0.25264(5) 0.93455(3) 0.01947(14) Uani 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
C1 C2 1.349(3) . ?
C1 O2 1.367(2) . ?
C1 P1 1.7876(18) . ?
C2 C3 1.425(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.330(3) . ?
C3 H3 0.9500 . ?
C4 O2 1.368(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.355(3) . ?
C5 O3 1.372(2) . ?
C5 P1 1.790(2) . ?
C6 C7 1.429(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.347(3) . ?
C7 H7 0.9500 . ?
C8 O3 1.368(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.529(3) . ?
C9 P1 1.7940(19) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.527(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.351(3) . ?
C12 O5 1.368(2) . ?
C12 P2 1.7843(19) . ?
C13 C14 1.426(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.344(3) . ?
C14 H14 0.9500 . ?
C15 O5 1.365(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.353(3) . ?
C16 O6 1.374(2) . ?
C16 P2 1.791(2) . ?
C17 C18 1.430(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.346(3) . ?
C18 H18 0.9500 . ?
C19 O6 1.365(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.527(3) . ?
C20 P2 1.8015(19) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.520(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
O1 P1 1.4858(14) . ?
O4 P2 1.4858(14) . ?

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
C2 C1 O2 109.67(16) . . ?
C2 C1 P1 131.86(15) . . ?
O2 C1 P1 118.47(14) . . ?
C1 C2 C3 106.77(19) . . ?
C1 C2 H2 126.6 . . ?
C3 C2 H2 126.6 . . ?
C4 C3 C2 106.37(19) . . ?
C4 C3 H3 126.8 . . ?
C2 C3 H3 126.8 . . ?
C3 C4 O2 110.82(19) . . ?
C3 C4 H4 124.6 . . ?
O2 C4 H4 124.6 . . ?
C6 C5 O3 109.68(17) . . ?
C6 C5 P1 133.19(15) . . ?
O3 C5 P1 117.11(14) . . ?
C5 C6 C7 106.99(19) . . ?
C5 C6 H6 126.5 . . ?
C7 C6 H6 126.5 . . ?
C8 C7 C6 105.94(19) . . ?
C8 C7 H7 127.0 . . ?
C6 C7 H7 127.0 . . ?
C7 C8 O3 110.88(18) . . ?
C7 C8 H8 124.6 . . ?
O3 C8 H8 124.6 . . ?
C10 C9 P1 111.56(13) . . ?
C10 C9 H9A 109.3 . . ?
P1 C9 H9A 109.3 . . ?
C10 C9 H9B 109.3 . . ?
P1 C9 H9B 109.3 . . ?
H9A C9 H9B 108.0 . . ?
C11 C10 C9 111.66(17) . . ?
C11 C10 H10A 109.3 . . ?
C9 C10 H10A 109.3 . . ?
C11 C10 H10B 109.3 . . ?
C9 C10 H10B 109.3 . . ?
H10A C10 H10B 108.0 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 O5 109.68(16) . . ?
C13 C12 P2 131.53(15) . . ?
O5 C12 P2 118.75(14) . . ?
C12 C13 C14 106.86(18) . . ?
C12 C13 H13 126.6 . . ?
C14 C13 H13 126.6 . . ?
C15 C14 C13 106.21(18) . . ?
C15 C14 H14 126.9 . . ?
C13 C14 H14 126.9 . . ?
C14 C15 O5 110.52(18) . . ?
C14 C15 H15 124.7 . . ?
O5 C15 H15 124.7 . . ?
C17 C16 O6 109.42(18) . . ?
C17 C16 P2 134.25(15) . . ?
O6 C16 P2 116.20(15) . . ?
C16 C17 C18 107.11(19) . . ?
C16 C17 H17 126.4 . . ?
C18 C17 H17 126.4 . . ?
C19 C18 C17 105.9(2) . . ?
C19 C18 H18 127.0 . . ?
C17 C18 H18 127.0 . . ?
C18 C19 O6 110.79(19) . . ?
C18 C19 H19 124.6 . . ?
O6 C19 H19 124.6 . . ?
C21 C20 P2 111.67(14) . . ?
C21 C20 H20A 109.3 . . ?
P2 C20 H20A 109.3 . . ?
C21 C20 H20B 109.3 . . ?
P2 C20 H20B 109.3 . . ?
H20A C20 H20B 107.9 . . ?
C22 C21 C20 111.03(18) . . ?
C22 C21 H21A 109.4 . . ?
C20 C21 H21A 109.4 . . ?
C22 C21 H21B 109.4 . . ?
C20 C21 H21B 109.4 . . ?
H21A C21 H21B 108.0 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C1 O2 C4 106.37(16) . . ?
C8 O3 C5 106.51(17) . . ?
C15 O5 C12 106.73(16) . . ?
C19 O6 C16 106.75(17) . . ?
O1 P1 C1 108.76(9) . . ?
O1 P1 C5 114.50(9) . . ?
C1 P1 C5 105.77(9) . . ?
O1 P1 C9 116.90(9) . . ?
C1 P1 C9 106.69(9) . . ?
C5 P1 C9 103.42(9) . . ?
O4 P2 C12 109.50(9) . . ?
O4 P2 C16 113.17(9) . . ?
C12 P2 C16 106.58(9) . . ?
O4 P2 C20 116.92(9) . . ?
C12 P2 C20 106.70(8) . . ?
C16 P2 C20 103.27(9) . . ?

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
O2 C1 C2 C3 0.0(2) . . . . ?
P1 C1 C2 C3 179.91(15) . . . . ?
C1 C2 C3 C4 0.4(2) . . . . ?
C2 C3 C4 O2 -0.6(2) . . . . ?
O3 C5 C6 C7 -0.2(2) . . . . ?
P1 C5 C6 C7 178.01(17) . . . . ?
C5 C6 C7 C8 0.2(2) . . . . ?
C6 C7 C8 O3 -0.1(3) . . . . ?
P1 C9 C10 C11 179.32(15) . . . . ?
O5 C12 C13 C14 0.6(2) . . . . ?
P2 C12 C13 C14 -177.00(16) . . . . ?
C12 C13 C14 C15 -0.3(2) . . . . ?
C13 C14 C15 O5 -0.1(2) . . . . ?
O6 C16 C17 C18 0.1(2) . . . . ?
P2 C16 C17 C18 175.55(17) . . . . ?
C16 C17 C18 C19 0.0(3) . . . . ?
C17 C18 C19 O6 -0.1(3) . . . . ?
P2 C20 C21 C22 177.07(15) . . . . ?
C2 C1 O2 C4 -0.3(2) . . . . ?
P1 C1 O2 C4 179.71(14) . . . . ?
C3 C4 O2 C1 0.6(2) . . . . ?
C7 C8 O3 C5 0.0(2) . . . . ?
C6 C5 O3 C8 0.2(2) . . . . ?
P1 C5 O3 C8 -178.40(14) . . . . ?
C14 C15 O5 C12 0.5(2) . . . . ?
C13 C12 O5 C15 -0.7(2) . . . . ?
P2 C12 O5 C15 177.29(14) . . . . ?
C18 C19 O6 C16 0.2(2) . . . . ?
C17 C16 O6 C19 -0.2(2) . . . . ?
P2 C16 O6 C19 -176.53(14) . . . . ?
C2 C1 P1 O1 -2.0(2) . . . . ?
O2 C1 P1 O1 177.93(13) . . . . ?
C2 C1 P1 C5 121.4(2) . . . . ?
O2 C1 P1 C5 -58.64(16) . . . . ?
C2 C1 P1 C9 -128.91(19) . . . . ?
O2 C1 P1 C9 51.02(17) . . . . ?
C6 C5 P1 O1 -124.9(2) . . . . ?
O3 C5 P1 O1 53.23(17) . . . . ?
C6 C5 P1 C1 115.4(2) . . . . ?
O3 C5 P1 C1 -66.49(16) . . . . ?
C6 C5 P1 C9 3.4(2) . . . . ?
O3 C5 P1 C9 -178.46(14) . . . . ?
C10 C9 P1 O1 -52.80(17) . . . . ?
C10 C9 P1 C1 69.10(16) . . . . ?
C10 C9 P1 C5 -179.60(13) . . . . ?
C13 C12 P2 O4 -9.0(2) . . . . ?
O5 C12 P2 O4 173.51(13) . . . . ?
C13 C12 P2 C16 113.7(2) . . . . ?
O5 C12 P2 C16 -63.75(16) . . . . ?
C13 C12 P2 C20 -136.5(2) . . . . ?
O5 C12 P2 C20 46.09(16) . . . . ?
C17 C16 P2 O4 -123.0(2) . . . . ?
O6 C16 P2 O4 52.17(17) . . . . ?
C17 C16 P2 C12 116.6(2) . . . . ?
O6 C16 P2 C12 -68.24(16) . . . . ?
C17 C16 P2 C20 4.3(2) . . . . ?
O6 C16 P2 C20 179.54(14) . . . . ?
C21 C20 P2 O4 -52.05(17) . . . . ?
C21 C20 P2 C12 70.84(16) . . . . ?
C21 C20 P2 C16 -177.02(14) . . . . ?

_refine_diff_density_max         0.191
_refine_diff_density_min         -0.213
_refine_diff_density_rms         0.051



