Supplementary Material (ESI) for Chemical Communications
This journal is © The Royal Society of Chemistry 2001

data_global

_journal_coden_Cambridge      182

_publ_requested_journal       'Chemical Communications'

loop_
_publ_author_name
'Jones, Cameron'
'Platts, Jamie A.'
'Richards, Anne F.'

_publ_contact_author_name     	'?'  
_publ_contact_author_address 
;
?
;

data_compound 3 

_database_code_CSD	157235


_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
'C22 H40 P2' 
_chemical_formula_weight          366.48 

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' 
'P'  'P'   0.1023   0.0942 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 

_symmetry_cell_setting            orthorhombic 
_symmetry_space_group_name_H-M    P2(1)2(1)2(1) 

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

_cell_length_a                    9.945(2) 
_cell_length_b                    14.071(3) 
_cell_length_c                    16.065(3) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      2248.1(8) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     150(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 

_exptl_crystal_description        prism 
_exptl_crystal_colour             colourless 
_exptl_crystal_size_max           0.5 
_exptl_crystal_size_mid           0.5 
_exptl_crystal_size_min           0.4 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.083 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              808 
_exptl_absorpt_coefficient_mu     0.195 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
_exptl_absorpt_process_details    ? 

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   ? 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             2303 
_diffrn_reflns_av_R_equivalents   0.0000 
_diffrn_reflns_av_sigmaI/netI     0.0192 
_diffrn_reflns_limit_h_min        0 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -16 
_diffrn_reflns_limit_k_max        0 
_diffrn_reflns_limit_l_min        -19 
_diffrn_reflns_limit_l_max        0 
_diffrn_reflns_theta_min          2.41 
_diffrn_reflns_theta_max          25.19 
_reflns_number_total              2303 
_reflns_number_gt                 2146 
_reflns_threshold_expression      >2sigma(I) 

_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 

_refine_special_details 
; 
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
goodness of fit S are based on F^2^, conventional R-factors R are based 
on F, with F set to zero for negative F^2^. The threshold expression of 
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
not relevant to the choice of reflections for refinement.  R-factors based 
on F^2^ are statistically about twice as large as those based on F, and R- 
factors based on ALL data will be even larger. 
; 

_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
'calc w=1/[\s^2^(Fo^2^)+(0.1127P)^2^+0.1900P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.024(3) 
_refine_ls_extinction_expression 
'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' 
_refine_ls_abs_structure_details 
'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    0.15(15) 
_refine_ls_number_reflns          2303 
_refine_ls_number_parameters      225 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0466 
_refine_ls_R_factor_gt            0.0417 
_refine_ls_wR_factor_ref          0.1344 
_refine_ls_wR_factor_gt           0.1223 
_refine_ls_goodness_of_fit_ref    1.076 
_refine_ls_restrained_S_all       1.076 
_refine_ls_shift/su_max           0.001 
_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_symmetry_multiplicity 
_atom_site_calc_flag 
_atom_site_refinement_flags 
_atom_site_disorder_assembly 
_atom_site_disorder_group 
P1 P 0.34332(8) -0.08095(5) 0.19588(5) 0.0267(2) Uani 1 1 d . . . 
P2 P 0.33461(7) 0.04059(5) 0.04089(4) 0.0212(2) Uani 1 1 d . . . 
C1 C 0.4083(3) 0.0254(2) 0.14365(17) 0.0226(6) Uani 1 1 d . . . 
C2 C 0.4061(3) -0.0655(2) 0.08994(18) 0.0227(6) Uani 1 1 d . . . 
C3 C 0.1560(3) -0.0955(2) 0.20073(18) 0.0252(6) Uani 1 1 d . . . 
H3 H 0.1178 -0.0894 0.1448 0.030 Uiso 1 1 calc R . . 
C4 C 0.1298(3) -0.1957(2) 0.2344(2) 0.0385(8) Uani 1 1 d . . . 
H4A H 0.1685 -0.2422 0.1967 0.046 Uiso 1 1 calc R . . 
H4B H 0.1730 -0.2028 0.2881 0.046 Uiso 1 1 calc R . . 
C5 C -0.0204(4) -0.2143(3) 0.2433(3) 0.0471(9) Uani 1 1 d . . . 
H5A H -0.0619 -0.2142 0.1887 0.057 Uiso 1 1 calc R . . 
H5B H -0.0341 -0.2766 0.2678 0.057 Uiso 1 1 calc R . . 
C6 C -0.0872(4) -0.1395(3) 0.2975(2) 0.0468(10) Uani 1 1 d . . . 
H6A H -0.1836 -0.1500 0.2980 0.056 Uiso 1 1 calc R . . 
H6B H -0.0547 -0.1456 0.3542 0.056 Uiso 1 1 calc R . . 
C7 C -0.0582(3) -0.0400(3) 0.2661(2) 0.0377(8) Uani 1 1 d . . . 
H7A H -0.0972 0.0060 0.3041 0.045 Uiso 1 1 calc R . . 
H7B H -0.1000 -0.0314 0.2121 0.045 Uiso 1 1 calc R . . 
C8 C 0.0922(3) -0.0218(2) 0.25866(19) 0.0295(7) Uani 1 1 d . . . 
H8A H 0.1335 -0.0256 0.3132 0.035 Uiso 1 1 calc R . . 
H8B H 0.1074 0.0415 0.2368 0.035 Uiso 1 1 calc R . . 
C9 C 0.1486(3) 0.05257(19) 0.04481(17) 0.0230(6) Uani 1 1 d . . . 
H9 H 0.1168 0.0391 0.1013 0.028 Uiso 1 1 calc R . . 
C10 C 0.1144(3) 0.1559(2) 0.0217(2) 0.0295(7) Uani 1 1 d . . . 
H10A H 0.1545 0.1987 0.0620 0.035 Uiso 1 1 calc R . . 
H10B H 0.1515 0.1707 -0.0326 0.035 Uiso 1 1 calc R . . 
C11 C -0.0379(3) 0.1705(2) 0.0202(2) 0.0356(8) Uani 1 1 d . . . 
H11A H -0.0740 0.1608 0.0757 0.043 Uiso 1 1 calc R . . 
H11B H -0.0579 0.2352 0.0035 0.043 Uiso 1 1 calc R . . 
C12 C -0.1042(3) 0.1017(3) -0.0397(2) 0.0351(8) Uani 1 1 d . . . 
H12A H -0.0747 0.1157 -0.0960 0.042 Uiso 1 1 calc R . . 
H12B H -0.2009 0.1101 -0.0376 0.042 Uiso 1 1 calc R . . 
C13 C -0.0699(3) -0.0009(2) -0.0188(2) 0.0310(7) Uani 1 1 d . . . 
H13A H -0.1094 -0.0426 -0.0602 0.037 Uiso 1 1 calc R . . 
H13B H -0.1079 -0.0171 0.0349 0.037 Uiso 1 1 calc R . . 
C14 C 0.0821(3) -0.0162(2) -0.01656(19) 0.0274(7) Uani 1 1 d . . . 
H14A H 0.1191 -0.0063 -0.0718 0.033 Uiso 1 1 calc R . . 
H14B H 0.1013 -0.0811 -0.0001 0.033 Uiso 1 1 calc R . . 
C15 C 0.5124(3) 0.0934(2) 0.17992(19) 0.0305(7) Uani 1 1 d . . . 
C16 C 0.4374(4) 0.1846(3) 0.2036(3) 0.0458(9) Uani 1 1 d . . . 
H16A H 0.5002 0.2302 0.2250 0.069 Uiso 1 1 calc R . . 
H16B H 0.3713 0.1704 0.2453 0.069 Uiso 1 1 calc R . . 
H16C H 0.3938 0.2102 0.1552 0.069 Uiso 1 1 calc R . . 
C17 C 0.5825(4) 0.0529(3) 0.2577(2) 0.0488(10) Uani 1 1 d . . . 
H17A H 0.6525 0.0955 0.2751 0.073 Uiso 1 1 calc R . . 
H17B H 0.6208 -0.0080 0.2446 0.073 Uiso 1 1 calc R . . 
H17C H 0.5181 0.0459 0.3017 0.073 Uiso 1 1 calc R . . 
C18 C 0.6211(3) 0.1191(2) 0.1158(2) 0.0352(8) Uani 1 1 d . . . 
H18A H 0.6747 0.1705 0.1367 0.053 Uiso 1 1 calc R . . 
H18B H 0.5790 0.1380 0.0646 0.053 Uiso 1 1 calc R . . 
H18C H 0.6773 0.0648 0.1060 0.053 Uiso 1 1 calc R . . 
C19 C 0.5076(3) -0.1327(2) 0.0490(2) 0.0308(7) Uani 1 1 d . . . 
C20 C 0.4317(4) -0.2242(3) 0.0291(3) 0.0560(12) Uani 1 1 d . . . 
H20A H 0.3961 -0.2507 0.0795 0.084 Uiso 1 1 calc R . . 
H20B H 0.4920 -0.2689 0.0037 0.084 Uiso 1 1 calc R . . 
H20C H 0.3593 -0.2104 -0.0086 0.084 Uiso 1 1 calc R . . 
C21 C 0.5649(4) -0.0914(3) -0.0317(2) 0.0370(8) Uani 1 1 d . . . 
H21A H 0.6102 -0.0327 -0.0199 0.055 Uiso 1 1 calc R . . 
H21B H 0.4929 -0.0799 -0.0703 0.055 Uiso 1 1 calc R . . 
H21C H 0.6274 -0.1357 -0.0556 0.055 Uiso 1 1 calc R . . 
C22 C 0.6253(3) -0.1550(3) 0.1078(2) 0.0469(10) Uani 1 1 d . . . 
H22A H 0.6799 -0.0993 0.1146 0.070 Uiso 1 1 calc R . . 
H22B H 0.6787 -0.2053 0.0846 0.070 Uiso 1 1 calc R . . 
H22C H 0.5909 -0.1744 0.1610 0.070 Uiso 1 1 calc R . . 

loop_ 
_atom_site_aniso_label 
_atom_site_aniso_U_11 
_atom_site_aniso_U_22 
_atom_site_aniso_U_33 
_atom_site_aniso_U_23 
_atom_site_aniso_U_13 
_atom_site_aniso_U_12 
P1 0.0241(4) 0.0274(4) 0.0286(4) 0.0097(3) 0.0035(3) 0.0019(3) 
P2 0.0232(4) 0.0177(4) 0.0226(4) 0.0018(3) -0.0010(3) 0.0005(3) 
C1 0.0210(12) 0.0265(15) 0.0202(13) 0.0020(12) 0.0030(11) 0.0014(12) 
C2 0.0206(13) 0.0194(13) 0.0281(14) 0.0027(12) 0.0002(11) -0.0012(12) 
C3 0.0258(14) 0.0212(13) 0.0287(14) 0.0044(11) 0.0018(13) -0.0028(12) 
C4 0.0399(19) 0.0253(15) 0.050(2) 0.0135(15) 0.0060(16) -0.0042(14) 
C5 0.044(2) 0.0390(18) 0.058(2) 0.0116(18) 0.0056(19) -0.0157(17) 
C6 0.0294(17) 0.069(3) 0.0423(19) 0.011(2) 0.0093(16) -0.0120(18) 
C7 0.0287(16) 0.054(2) 0.0299(16) -0.0064(16) 0.0035(13) 0.0054(16) 
C8 0.0307(14) 0.0295(15) 0.0284(15) -0.0023(13) 0.0023(13) -0.0005(14) 
C9 0.0251(14) 0.0193(13) 0.0247(14) 0.0015(11) -0.0024(12) 0.0021(12) 
C10 0.0300(16) 0.0199(14) 0.0386(16) 0.0024(13) -0.0010(13) 0.0036(12) 
C11 0.0354(17) 0.0261(15) 0.0453(19) 0.0075(15) 0.0032(15) 0.0072(14) 
C12 0.0239(15) 0.046(2) 0.0353(16) 0.0103(15) -0.0019(14) 0.0044(14) 
C13 0.0283(16) 0.0374(18) 0.0273(15) -0.0015(14) -0.0006(13) -0.0043(13) 
C14 0.0300(15) 0.0234(14) 0.0286(14) -0.0015(13) -0.0012(13) -0.0019(13) 
C15 0.0288(15) 0.0374(16) 0.0252(14) -0.0068(13) -0.0005(13) -0.0090(14) 
C16 0.0399(19) 0.042(2) 0.056(2) -0.0260(18) 0.0075(18) -0.0113(16) 
C17 0.0375(18) 0.080(3) 0.0290(17) 0.0035(19) -0.0088(15) -0.019(2) 
C18 0.0333(17) 0.0358(16) 0.0364(16) -0.0033(15) 0.0017(14) -0.0112(14) 
C19 0.0317(16) 0.0226(14) 0.0382(16) -0.0009(13) 0.0074(14) 0.0056(13) 
C20 0.054(2) 0.0239(17) 0.090(3) -0.016(2) 0.019(3) 0.0027(17) 
C21 0.0385(18) 0.0390(18) 0.0333(17) -0.0023(15) 0.0078(15) 0.0101(15) 
C22 0.040(2) 0.049(2) 0.051(2) 0.0180(18) 0.0131(17) 0.0208(18) 

_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 C2 1.826(3) . ? 
P1 C1 1.833(3) . ? 
P1 C3 1.875(3) . ? 
P2 C1 1.819(3) . ? 
P2 C2 1.832(3) . ? 
P2 C9 1.859(3) . ? 
C1 C15 1.526(4) . ? 
C1 C2 1.543(4) . ? 
C2 C19 1.531(4) . ? 
C3 C8 1.531(4) . ? 
C3 C4 1.533(4) . ? 
C4 C5 1.523(5) . ? 
C5 C6 1.519(6) . ? 
C6 C7 1.516(6) . ? 
C7 C8 1.521(4) . ? 
C9 C14 1.531(4) . ? 
C9 C10 1.539(4) . ? 
C10 C11 1.528(4) . ? 
C11 C12 1.516(5) . ? 
C12 C13 1.522(5) . ? 
C13 C14 1.527(4) . ? 
C15 C16 1.531(5) . ? 
C15 C18 1.537(4) . ? 
C15 C17 1.540(5) . ? 
C19 C20 1.525(5) . ? 
C19 C21 1.532(5) . ? 
C19 C22 1.537(5) . ? 

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 P1 C1 49.89(13) . . ? 
C2 P1 C3 113.03(13) . . ? 
C1 P1 C3 117.25(13) . . ? 
C1 P2 C2 50.01(13) . . ? 
C1 P2 C9 112.39(13) . . ? 
C2 P2 C9 116.47(13) . . ? 
C15 C1 C2 138.0(3) . . ? 
C15 C1 P2 123.1(2) . . ? 
C2 C1 P2 65.45(15) . . ? 
C15 C1 P1 125.2(2) . . ? 
C2 C1 P1 64.82(16) . . ? 
P2 C1 P1 111.70(16) . . ? 
C19 C2 C1 138.0(3) . . ? 
C19 C2 P1 123.5(2) . . ? 
C1 C2 P1 65.28(15) . . ? 
C19 C2 P2 125.1(2) . . ? 
C1 C2 P2 64.55(16) . . ? 
P1 C2 P2 111.40(15) . . ? 
C8 C3 C4 109.8(2) . . ? 
C8 C3 P1 111.3(2) . . ? 
C4 C3 P1 106.5(2) . . ? 
C5 C4 C3 111.0(3) . . ? 
C6 C5 C4 111.3(3) . . ? 
C7 C6 C5 111.5(3) . . ? 
C6 C7 C8 111.6(3) . . ? 
C7 C8 C3 110.0(3) . . ? 
C14 C9 C10 110.2(2) . . ? 
C14 C9 P2 110.5(2) . . ? 
C10 C9 P2 107.3(2) . . ? 
C11 C10 C9 110.5(3) . . ? 
C12 C11 C10 110.8(3) . . ? 
C11 C12 C13 111.6(3) . . ? 
C12 C13 C14 111.1(3) . . ? 
C13 C14 C9 110.7(3) . . ? 
C1 C15 C16 106.9(3) . . ? 
C1 C15 C18 111.6(2) . . ? 
C16 C15 C18 108.2(3) . . ? 
C1 C15 C17 112.6(3) . . ? 
C16 C15 C17 109.2(3) . . ? 
C18 C15 C17 108.2(3) . . ? 
C20 C19 C2 106.6(3) . . ? 
C20 C19 C21 109.0(3) . . ? 
C2 C19 C21 112.0(3) . . ? 
C20 C19 C22 109.5(3) . . ? 
C2 C19 C22 111.4(3) . . ? 
C21 C19 C22 108.3(3) . . ? 

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 
C2 P2 C1 C15 132.7(3) . . . . ? 
C9 P2 C1 C15 -120.9(2) . . . . ? 
C9 P2 C1 C2 106.48(17) . . . . ? 
C2 P2 C1 P1 -46.75(16) . . . . ? 
C9 P2 C1 P1 59.74(18) . . . . ? 
C2 P1 C1 C15 -132.3(3) . . . . ? 
C3 P1 C1 C15 129.5(2) . . . . ? 
C3 P1 C1 C2 -98.14(18) . . . . ? 
C2 P1 C1 P2 47.06(15) . . . . ? 
C3 P1 C1 P2 -51.1(2) . . . . ? 
C15 C1 C2 C19 2.1(7) . . . . ? 
P2 C1 C2 C19 115.0(4) . . . . ? 
P1 C1 C2 C19 -113.4(4) . . . . ? 
C15 C1 C2 P1 115.5(4) . . . . ? 
P2 C1 C2 P1 -131.61(14) . . . . ? 
C15 C1 C2 P2 -112.9(4) . . . . ? 
P1 C1 C2 P2 131.61(14) . . . . ? 
C1 P1 C2 C19 132.5(3) . . . . ? 
C3 P1 C2 C19 -120.5(2) . . . . ? 
C3 P1 C2 C1 107.00(17) . . . . ? 
C1 P1 C2 P2 -46.48(16) . . . . ? 
C3 P1 C2 P2 60.52(18) . . . . ? 
C1 P2 C2 C19 -132.1(3) . . . . ? 
C9 P2 C2 C19 129.9(2) . . . . ? 
C9 P2 C2 C1 -97.91(18) . . . . ? 
C1 P2 C2 P1 46.85(16) . . . . ? 
C9 P2 C2 P1 -51.1(2) . . . . ? 
C2 P1 C3 C8 -124.5(2) . . . . ? 
C1 P1 C3 C8 -69.2(2) . . . . ? 
C2 P1 C3 C4 115.9(2) . . . . ? 
C1 P1 C3 C4 171.2(2) . . . . ? 
C8 C3 C4 C5 57.7(4) . . . . ? 
P1 C3 C4 C5 178.4(3) . . . . ? 
C3 C4 C5 C6 -55.6(4) . . . . ? 
C4 C5 C6 C7 54.0(4) . . . . ? 
C5 C6 C7 C8 -55.2(4) . . . . ? 
C6 C7 C8 C3 57.5(4) . . . . ? 
C4 C3 C8 C7 -58.3(4) . . . . ? 
P1 C3 C8 C7 -175.9(2) . . . . ? 
C1 P2 C9 C14 -129.5(2) . . . . ? 
C2 P2 C9 C14 -74.3(2) . . . . ? 
C1 P2 C9 C10 110.3(2) . . . . ? 
C2 P2 C9 C10 165.43(19) . . . . ? 
C14 C9 C10 C11 57.4(3) . . . . ? 
P2 C9 C10 C11 177.8(2) . . . . ? 
C9 C10 C11 C12 -56.9(4) . . . . ? 
C10 C11 C12 C13 56.2(4) . . . . ? 
C11 C12 C13 C14 -55.7(4) . . . . ? 
C12 C13 C14 C9 56.0(4) . . . . ? 
C10 C9 C14 C13 -56.8(3) . . . . ? 
P2 C9 C14 C13 -175.3(2) . . . . ? 
C2 C1 C15 C16 162.5(3) . . . . ? 
P2 C1 C15 C16 73.5(3) . . . . ? 
P1 C1 C15 C16 -107.2(3) . . . . ? 
C2 C1 C15 C18 44.4(5) . . . . ? 
P2 C1 C15 C18 -44.6(4) . . . . ? 
P1 C1 C15 C18 134.7(3) . . . . ? 
C2 C1 C15 C17 -77.6(4) . . . . ? 
P2 C1 C15 C17 -166.5(2) . . . . ? 
P1 C1 C15 C17 12.8(4) . . . . ? 
C1 C2 C19 C20 162.4(4) . . . . ? 
P1 C2 C19 C20 73.2(4) . . . . ? 
P2 C2 C19 C20 -107.9(3) . . . . ? 
C1 C2 C19 C21 -78.5(5) . . . . ? 
P1 C2 C19 C21 -167.6(2) . . . . ? 
P2 C2 C19 C21 11.2(4) . . . . ? 
C1 C2 C19 C22 43.0(5) . . . . ? 
P1 C2 C19 C22 -46.1(3) . . . . ? 
P2 C2 C19 C22 132.7(3) . . . . ? 

_diffrn_measured_fraction_theta_max    1.000 
_diffrn_reflns_theta_full              25.19 
_diffrn_measured_fraction_theta_full   1.000 
_refine_diff_density_max    0.454 
_refine_diff_density_min   -0.366 
_refine_diff_density_rms    0.084