# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_RO919-3
_database_code_depnum_ccdc_archive 'CCDC 2266573'
loop_
_audit_author_name
_audit_author_address
'Ryoto Oya'
;Kanazawa University
Japan
;
_audit_update_record             
;
2023-05-31 deposited with the CCDC.	2023-09-07 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C21 H35 Cl N O2 P'
_chemical_formula_moiety         'C21 H35 Cl N O2 P'
_chemical_formula_weight         399.94
_chemical_melting_point          ?
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
_space_group_IT_number           19
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 1/2-X,-Y,1/2+Z
3 1/2+X,1/2-Y,-Z
4 -X,1/2+Y,1/2-Z
#------------------------------------------------------------------------------
_cell_length_a                   9.5728(6)
_cell_length_b                   12.9468(9)
_cell_length_c                   18.7278(10)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_volume                     2321.1(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    18177
_cell_measurement_theta_min      1.91
_cell_measurement_theta_max      27.48
_cell_measurement_temperature    296
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.800
_exptl_crystal_size_mid          0.800
_exptl_crystal_size_min          0.700
_exptl_crystal_density_diffrn    1.144
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             864.00
_exptl_absorpt_coefficient_mu    0.247
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.578
_exptl_absorpt_correction_T_max  0.841

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      296
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            21765
_diffrn_reflns_av_unetI/netI     0.0346
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         1.912
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             5299
_reflns_number_gt                4695
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.766
_reflns_Friedel_fraction_max     0.994
_reflns_Friedel_fraction_full    0.994

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0502
_refine_ls_wR_factor_ref         0.1350
_refine_ls_wR_factor_gt          0.1299
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         5299
_refine_ls_number_parameters     235
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0694P)²+1.3040P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.003
_refine_diff_density_max         0.63
_refine_diff_density_min         -0.63
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;
 Flack x determined using 1775 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.46(2)

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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
Cl1 Cl 0.54089(11) 0.20461(7) 0.31750(5) 0.0421(3) Uani 1 1 d . . . . .
P1 P 0.55892(9) 0.52091(6) 0.32866(5) 0.0284(2) Uani 1 1 d . . . . .
O2 O 0.4964(3) 0.45811(19) 0.45958(13) 0.0343(6) Uani 1 1 d . . . . .
O3 O 0.8353(3) 0.4554(2) 0.38461(15) 0.0421(7) Uani 1 1 d . . . . .
N4 N 0.7648(4) 0.4022(2) 0.49498(17) 0.0345(7) Uani 1 1 d . . . . .
C5 C 0.5918(4) 0.4572(3) 0.24485(19) 0.0316(8) Uani 1 1 d . . . . .
H5A H 0.547619 0.389773 0.246460 0.038 Uiso 1 1 calc R U . . .
H5B H 0.545858 0.496439 0.207505 0.038 Uiso 1 1 calc R U . . .
C6 C 0.5169(4) 0.3958(3) 0.51893(19) 0.0348(8) Uani 1 1 d . . . . .
C7 C 0.7428(4) 0.4317(3) 0.4267(2) 0.0337(8) Uani 1 1 d . . . . .
C8 C 0.7438(4) 0.4420(3) 0.2232(2) 0.0377(9) Uani 1 1 d . . . . .
H8A H 0.791317 0.401912 0.259615 0.045 Uiso 1 1 calc R U . . .
H8B H 0.789311 0.508805 0.220135 0.045 Uiso 1 1 calc R U . . .
C9 C 0.7559(5) 0.3867(3) 0.1514(2) 0.0399(9) Uani 1 1 d . . . . .
H9A H 0.711583 0.319475 0.154758 0.048 Uiso 1 1 calc R U . . .
H9B H 0.707248 0.426279 0.115207 0.048 Uiso 1 1 calc R U . . .
C10 C 0.3780(4) 0.5538(3) 0.3326(2) 0.0321(7) Uani 1 1 d . . . . .
H10A H 0.360267 0.587099 0.378091 0.038 Uiso 1 1 calc R U . . .
H10B H 0.359050 0.604129 0.295478 0.038 Uiso 1 1 calc R U . . .
C11 C 0.5915(4) 0.4315(3) 0.40290(19) 0.0314(8) Uani 1 1 d . . . . .
H11 H 0.568487 0.361649 0.386599 0.038 Uiso 1 1 calc R U . . .
C12 C 0.6579(4) 0.6383(3) 0.3373(2) 0.0341(8) Uani 1 1 d . . . . .
H12A H 0.756184 0.622099 0.331588 0.041 Uiso 1 1 calc R U . . .
H12B H 0.631781 0.684479 0.298724 0.041 Uiso 1 1 calc R U . . .
C13 C 0.9100(5) 0.3940(3) 0.5199(2) 0.0411(9) Uani 1 1 d . . . . .
H13A H 0.910914 0.372568 0.568949 0.049 Uiso 1 1 calc R U . . .
H13B H 0.958938 0.344170 0.491366 0.049 Uiso 1 1 calc R U . . .
H13C H 0.954951 0.460028 0.515612 0.049 Uiso 1 1 calc R U . . .
C14 C 0.6523(4) 0.3681(3) 0.53809(19) 0.0347(8) Uani 1 1 d . . . . .
C15 C 0.2736(4) 0.4642(3) 0.3242(3) 0.0406(9) Uani 1 1 d . . . . .
H15A H 0.314000 0.412124 0.293206 0.049 Uiso 1 1 calc R U . . .
H15B H 0.257593 0.432854 0.370482 0.049 Uiso 1 1 calc R U . . .
C16 C 0.4027(5) 0.3690(3) 0.5595(2) 0.0425(10) Uani 1 1 d . . . . .
H16 H 0.313246 0.388579 0.545756 0.051 Uiso 1 1 calc R U . . .
C17 C 0.9076(5) 0.3730(4) 0.1294(2) 0.0474(11) Uani 1 1 d . . . . .
H17A H 0.911732 0.338063 0.084259 0.057 Uiso 1 1 calc R U . . .
H17B H 0.951280 0.439456 0.125311 0.057 Uiso 1 1 calc R U . . .
H17C H 0.955611 0.332756 0.164823 0.057 Uiso 1 1 calc R U . . .
C18 C 0.6383(5) 0.6948(3) 0.4079(2) 0.0430(10) Uani 1 1 d . . . . .
H18A H 0.540276 0.711527 0.414028 0.052 Uiso 1 1 calc R U . . .
H18B H 0.665842 0.649700 0.446765 0.052 Uiso 1 1 calc R U . . .
C19 C 0.6723(6) 0.3111(3) 0.6003(2) 0.0468(11) Uani 1 1 d . . . . .
H19 H 0.761797 0.291633 0.614135 0.056 Uiso 1 1 calc R U . . .
C20 C 0.4238(6) 0.3117(3) 0.6219(2) 0.0513(12) Uani 1 1 d . . . . .
H20 H 0.348182 0.292627 0.650127 0.062 Uiso 1 1 calc R U . . .
C21 C 0.5583(6) 0.2836(3) 0.6413(2) 0.0547(13) Uani 1 1 d . . . . .
H21 H 0.571998 0.245350 0.682724 0.066 Uiso 1 1 calc R U . . .
C22 C 0.7235(7) 0.7928(4) 0.4109(3) 0.0638(14) Uani 1 1 d . . . . .
H22A H 0.694370 0.837861 0.372339 0.077 Uiso 1 1 calc R U . . .
H22B H 0.820993 0.775652 0.403253 0.077 Uiso 1 1 calc R U . . .
C23 C 0.0744(5) 0.5922(4) 0.3092(4) 0.0704(17) Uani 1 1 d . . . . .
H23A H -0.012153 0.597057 0.283553 0.085 Uiso 1 1 calc R U . . .
H23B H 0.056565 0.596709 0.359535 0.085 Uiso 1 1 calc R U . . .
H23C H 0.134946 0.647627 0.295015 0.085 Uiso 1 1 calc R U . . .
C24 C 0.7102(9) 0.8506(5) 0.4808(3) 0.092(2) Uani 1 1 d . . . . .
H24A H 0.766710 0.911774 0.479129 0.110 Uiso 1 1 calc R U . . .
H24B H 0.614323 0.869453 0.488282 0.110 Uiso 1 1 calc R U . . .
H24C H 0.741060 0.807187 0.519225 0.110 Uiso 1 1 calc R U . . .
C25 C 0.1380(6) 0.4982(4) 0.2940(7) 0.150(5) Uani 1 1 d . . . . .
H25A H 0.148423 0.495629 0.242464 0.179 Uiso 1 1 calc R U . . .
H25B H 0.070764 0.445179 0.306390 0.179 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXT Version 2018/2 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL Version 2018/3 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2019)'
_computing_molecular_graphics    'CrystalStructure 4.3'

#==============================================================================
# MOLECULAR GEOMETRY

_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 C10 1.785(4) . ?
P1 C12 1.798(4) . ?
P1 C5 1.801(4) . ?
P1 C11 1.836(4) . ?
O2 C6 1.388(4) . ?
O2 C11 1.440(4) . ?
O3 C7 1.225(5) . ?
N4 C7 1.351(5) . ?
N4 C14 1.417(5) . ?
N4 C13 1.470(5) . ?
C5 C8 1.523(5) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C16 1.376(6) . ?
C6 C14 1.392(6) . ?
C7 C11 1.515(6) . ?
C8 C9 1.528(5) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C17 1.520(6) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C15 1.538(5) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11 0.9800 . ?
C12 C18 1.522(5) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C19 1.392(5) . ?
C15 C25 1.483(8) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C20 1.398(6) . ?
C16 H16 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C22 1.509(6) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C21 1.381(7) . ?
C19 H19 0.9300 . ?
C20 C21 1.386(8) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C24 1.512(7) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C25 1.390(8) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9700 . ?
C25 H25B 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
C10 P1 C12 107.82(17) . . ?
C10 P1 C5 108.34(18) . . ?
C12 P1 C5 111.93(18) . . ?
C10 P1 C11 106.50(18) . . ?
C12 P1 C11 112.05(17) . . ?
C5 P1 C11 109.97(16) . . ?
C6 O2 C11 111.2(3) . . ?
C7 N4 C14 120.6(4) . . ?
C7 N4 C13 117.9(3) . . ?
C14 N4 C13 121.0(3) . . ?
C8 C5 P1 117.2(3) . . ?
C8 C5 H5A 108.0 . . ?
P1 C5 H5A 108.0 . . ?
C8 C5 H5B 108.0 . . ?
P1 C5 H5B 108.0 . . ?
H5A C5 H5B 107.2 . . ?
C16 C6 O2 118.5(4) . . ?
C16 C6 C14 122.2(4) . . ?
O2 C6 C14 119.2(3) . . ?
O3 C7 N4 124.6(4) . . ?
O3 C7 C11 120.1(3) . . ?
N4 C7 C11 115.3(3) . . ?
C5 C8 C9 111.5(3) . . ?
C5 C8 H8A 109.3 . . ?
C9 C8 H8A 109.3 . . ?
C5 C8 H8B 109.3 . . ?
C9 C8 H8B 109.3 . . ?
H8A C8 H8B 108.0 . . ?
C17 C9 C8 111.5(4) . . ?
C17 C9 H9A 109.3 . . ?
C8 C9 H9A 109.3 . . ?
C17 C9 H9B 109.3 . . ?
C8 C9 H9B 109.3 . . ?
H9A C9 H9B 108.0 . . ?
C15 C10 P1 116.5(3) . . ?
C15 C10 H10A 108.2 . . ?
P1 C10 H10A 108.2 . . ?
C15 C10 H10B 108.2 . . ?
P1 C10 H10B 108.2 . . ?
H10A C10 H10B 107.3 . . ?
O2 C11 C7 112.8(3) . . ?
O2 C11 P1 107.5(2) . . ?
C7 C11 P1 112.6(3) . . ?
O2 C11 H11 107.9 . . ?
C7 C11 H11 107.9 . . ?
P1 C11 H11 107.9 . . ?
C18 C12 P1 114.8(3) . . ?
C18 C12 H12A 108.6 . . ?
P1 C12 H12A 108.6 . . ?
C18 C12 H12B 108.6 . . ?
P1 C12 H12B 108.6 . . ?
H12A C12 H12B 107.6 . . ?
N4 C13 H13A 109.5 . . ?
N4 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
N4 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C6 C14 C19 118.7(4) . . ?
C6 C14 N4 118.8(3) . . ?
C19 C14 N4 122.5(4) . . ?
C25 C15 C10 112.6(4) . . ?
C25 C15 H15A 109.1 . . ?
C10 C15 H15A 109.1 . . ?
C25 C15 H15B 109.1 . . ?
C10 C15 H15B 109.1 . . ?
H15A C15 H15B 107.8 . . ?
C6 C16 C20 118.7(4) . . ?
C6 C16 H16 120.6 . . ?
C20 C16 H16 120.6 . . ?
C9 C17 H17A 109.5 . . ?
C9 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C9 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C22 C18 C12 111.7(4) . . ?
C22 C18 H18A 109.3 . . ?
C12 C18 H18A 109.3 . . ?
C22 C18 H18B 109.3 . . ?
C12 C18 H18B 109.3 . . ?
H18A C18 H18B 107.9 . . ?
C21 C19 C14 119.6(5) . . ?
C21 C19 H19 120.2 . . ?
C14 C19 H19 120.2 . . ?
C21 C20 C16 119.5(4) . . ?
C21 C20 H20 120.3 . . ?
C16 C20 H20 120.3 . . ?
C19 C21 C20 121.4(4) . . ?
C19 C21 H21 119.3 . . ?
C20 C21 H21 119.3 . . ?
C18 C22 C24 113.8(5) . . ?
C18 C22 H22A 108.8 . . ?
C24 C22 H22A 108.8 . . ?
C18 C22 H22B 108.8 . . ?
C24 C22 H22B 108.8 . . ?
H22A C22 H22B 107.7 . . ?
C25 C23 H23A 109.5 . . ?
C25 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C25 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 C15 124.4(7) . . ?
C23 C25 H25A 106.2 . . ?
C15 C25 H25A 106.2 . . ?
C23 C25 H25B 106.2 . . ?
C15 C25 H25B 106.2 . . ?
H25A C25 H25B 106.4 . . ?

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
C10 P1 C5 C8 167.7(3) . . . . ?
C12 P1 C5 C8 49.0(3) . . . . ?
C11 P1 C5 C8 -76.3(3) . . . . ?
C11 O2 C6 C16 -145.7(3) . . . . ?
C11 O2 C6 C14 38.5(4) . . . . ?
C14 N4 C7 O3 -174.8(4) . . . . ?
C13 N4 C7 O3 -2.5(6) . . . . ?
C14 N4 C7 C11 3.6(5) . . . . ?
C13 N4 C7 C11 176.0(3) . . . . ?
P1 C5 C8 C9 179.7(3) . . . . ?
C5 C8 C9 C17 179.2(3) . . . . ?
C12 P1 C10 C15 178.4(3) . . . . ?
C5 P1 C10 C15 57.1(3) . . . . ?
C11 P1 C10 C15 -61.2(3) . . . . ?
C6 O2 C11 C7 -53.6(4) . . . . ?
C6 O2 C11 P1 -178.3(2) . . . . ?
O3 C7 C11 O2 -148.2(3) . . . . ?
N4 C7 C11 O2 33.3(4) . . . . ?
O3 C7 C11 P1 -26.3(4) . . . . ?
N4 C7 C11 P1 155.1(3) . . . . ?
C10 P1 C11 O2 -30.7(3) . . . . ?
C12 P1 C11 O2 86.9(3) . . . . ?
C5 P1 C11 O2 -147.9(2) . . . . ?
C10 P1 C11 C7 -155.5(3) . . . . ?
C12 P1 C11 C7 -37.9(3) . . . . ?
C5 P1 C11 C7 87.3(3) . . . . ?
C10 P1 C12 C18 62.6(3) . . . . ?
C5 P1 C12 C18 -178.4(3) . . . . ?
C11 P1 C12 C18 -54.3(4) . . . . ?
C16 C6 C14 C19 0.3(6) . . . . ?
O2 C6 C14 C19 176.0(3) . . . . ?
C16 C6 C14 N4 -177.5(3) . . . . ?
O2 C6 C14 N4 -1.8(5) . . . . ?
C7 N4 C14 C6 -20.5(5) . . . . ?
C13 N4 C14 C6 167.4(3) . . . . ?
C7 N4 C14 C19 161.8(4) . . . . ?
C13 N4 C14 C19 -10.3(5) . . . . ?
P1 C10 C15 C25 -152.5(6) . . . . ?
O2 C6 C16 C20 -176.0(3) . . . . ?
C14 C6 C16 C20 -0.3(6) . . . . ?
P1 C12 C18 C22 -179.5(4) . . . . ?
C6 C14 C19 C21 -0.1(6) . . . . ?
N4 C14 C19 C21 177.6(4) . . . . ?
C6 C16 C20 C21 0.1(6) . . . . ?
C14 C19 C21 C20 -0.1(7) . . . . ?
C16 C20 C21 C19 0.1(7) . . . . ?
C12 C18 C22 C24 -178.7(5) . . . . ?
C10 C15 C25 C23 -36.5(12) . . . . ?


#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.





#==============================================================================
#     End of CIF
#==============================================================================
