# Supplementary Material (ESI) for Perkin Transactions
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 207/492
 
data_RP1 
 
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C30 H29 N P2' 
_chemical_formula_weight          465.48 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
 
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' 
 'N'  'N'   0.0061   0.0033 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    P2(1)/n 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x-1/2, -y-1/2, z-1/2' 
 
_cell_length_a                    9.555(1) 
_cell_length_b                    10.182(1) 
_cell_length_c                    25.711(2) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  98.75(1) 
_cell_angle_gamma                 90.00 
_cell_volume                      2472.3(4) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     150(2) 
_cell_measurement_reflns_used     407 
_cell_measurement_theta_min       10 
_cell_measurement_theta_max       30 
 
_exptl_crystal_description        plate 
_exptl_crystal_colour             yellow 
_exptl_crystal_size_max           0.3 
_exptl_crystal_size_mid           0.2 
_exptl_crystal_size_min           0.06 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.251 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              984 
_exptl_absorpt_coefficient_mu     0.195 
_exptl_absorpt_correction_type    none 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
 
_exptl_special_details 
; 
 Hemispere scan in frames of 0.3 deg.\w, 20 s/frame rate. 
; 
 
_diffrn_ambient_temperature       150(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        'Siemens CCD area detector' 
_diffrn_measurement_method        '\w scans' 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             14385 
_diffrn_reflns_av_R_equivalents   0.0917 
_diffrn_reflns_av_sigmaI/netI     0.0733 
_diffrn_reflns_limit_h_min        -11 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -12 
_diffrn_reflns_limit_k_max        10 
_diffrn_reflns_limit_l_min        -30 
_diffrn_reflns_limit_l_max        30 
_diffrn_reflns_theta_min          1.60 
_diffrn_reflns_theta_max          25.00 
_reflns_number_total              4358 
_reflns_number_observed           3030 
_reflns_observed_criterion        >2sigma(I) 
 
_computing_data_collection        'Siemens SMART' 
_computing_cell_refinement        'Siemens SMART'  
_computing_data_reduction         'Siemens SAINT'  
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     'SHELXTL' 
_computing_publication_material   'SHELXTL' 
 
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 106 with very negative 
 F^2^.  Weighted R-factors 
 wR and all goodnesses 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 observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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. 
     Phenyl H atoms riding, others - refall.
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme 
 'calc w=1/[\s^2^(Fo^2^)+4.8239P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    difmap 
_refine_ls_hydrogen_treatment     'refall, riding' 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          4252 
_refine_ls_number_parameters      334 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.1068 
_refine_ls_R_factor_obs           0.0622 
_refine_ls_wR_factor_all          0.1336 
_refine_ls_wR_factor_obs          0.1055 
_refine_ls_goodness_of_fit_all    1.138 
_refine_ls_goodness_of_fit_obs    1.192 
_refine_ls_restrained_S_all       1.240 
_refine_ls_restrained_S_obs       1.192 
_refine_ls_shift/esd_max          0.000 
_refine_ls_shift/esd_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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
P1 P 0.84834(9) 0.03514(10) 0.15074(3) 0.0206(2) Uani 1 d . . 
P2 P 0.71456(10) -0.05356(10) 0.04919(4) 0.0233(2) Uani 1 d . . 
N N 0.8461(3) -0.0555(3) 0.10114(11) 0.0254(7) Uani 1 d . . 
C1 C 0.9402(3) -0.0512(4) 0.20786(13) 0.0213(8) Uani 1 d . . 
C2 C 1.0567(5) -0.1431(4) 0.1957(2) 0.0341(10) Uani 1 d . . 
H2A H 1.0811(35) -0.1448(33) 0.1620(14) 0.021(9) Uiso 1 d . . 
H2B H 1.1431(40) -0.1487(36) 0.2250(15) 0.033(11) Uiso 1 d . . 
C3 C 0.9199(5) -0.1990(4) 0.2070(2) 0.0312(9) Uani 1 d . . 
H3A H 0.8608(35) -0.2321(33) 0.1790(14) 0.018(9) Uiso 1 d . . 
H3B H 0.9153(44) -0.2410(42) 0.2428(17) 0.054(13) Uiso 1 d . . 
C4 C 0.8023(4) 0.0134(4) -0.00339(14) 0.0258(9) Uani 1 d . . 
H4 H 0.8869(39) -0.0346(38) -0.0093(14) 0.034(10) Uiso 1 d . . 
C5 C 0.7134(5) 0.0692(5) -0.0519(2) 0.0388(11) Uani 1 d . . 
H5A H 0.7511(40) 0.0567(38) -0.0851(15) 0.038(11) Uiso 1 d . . 
H5B H 0.6107(44) 0.0665(39) -0.0540(15) 0.042(12) Uiso 1 d . . 
C6 C 0.7963(5) 0.1588(4) -0.0131(2) 0.0362(10) Uani 1 d . . 
H6A H 0.8851(46) 0.2032(43) -0.0228(16) 0.053(13) Uiso 1 d . . 
H6B H 0.7467(36) 0.2076(34) 0.0091(13) 0.018(9) Uiso 1 d . . 
C11 C 0.9460(4) 0.1866(4) 0.14601(13) 0.0228(8) Uani 1 d . . 
C12 C 1.0209(4) 0.1965(4) 0.10394(14) 0.0274(9) Uani 1 d . . 
H12 H 1.0179(4) 0.1261(4) 0.07954(14) 0.033 Uiso 1 d R . 
C13 C 1.0983(4) 0.3079(4) 0.09677(15) 0.0342(10) Uani 1 d . . 
H13 H 1.1503(4) 0.3125(4) 0.06814(15) 0.041 Uiso 1 d R . 
C14 C 1.1003(4) 0.4113(4) 0.1314(2) 0.0374(10) Uani 1 d . . 
H14 H 1.1520(4) 0.4885(4) 0.1258(2) 0.045 Uiso 1 d R . 
C15 C 1.0262(4) 0.4039(4) 0.17395(15) 0.0347(10) Uani 1 d . . 
H15 H 1.0290(4) 0.4752(4) 0.19792(15) 0.042 Uiso 1 d R . 
C16 C 0.9496(4) 0.2918(4) 0.18165(14) 0.0282(9) Uani 1 d . . 
H16 H 0.8994(4) 0.2863(4) 0.21075(14) 0.034 Uiso 1 d R . 
C21 C 0.6734(3) 0.0804(3) 0.16473(13) 0.0202(8) Uani 1 d . . 
C22 C 0.6124(4) 0.2020(4) 0.14967(13) 0.0245(8) Uani 1 d . . 
H22 H 0.6673(4) 0.2676(4) 0.13592(13) 0.029 Uiso 1 d R . 
C23 C 0.4709(4) 0.2272(4) 0.15450(14) 0.0265(9) Uani 1 d . . 
H23 H 0.4303(4) 0.3103(4) 0.14441(14) 0.032 Uiso 1 d R . 
C24 C 0.3900(4) 0.1307(4) 0.17400(14) 0.0292(9) Uani 1 d . . 
H24 H 0.2945(4) 0.1482(4) 0.17795(14) 0.035 Uiso 1 d R . 
C25 C 0.4498(4) 0.0090(4) 0.18798(14) 0.0294(9) Uani 1 d . . 
H25 H 0.3940(4) -0.0576(4) 0.20069(14) 0.035 Uiso 1 d R . 
C26 C 0.5899(4) -0.0165(4) 0.18306(14) 0.0271(9) Uani 1 d . . 
H26 H 0.6293(4) -0.1004(4) 0.19249(14) 0.033 Uiso 1 d R . 
C31 C 0.9615(4) 0.0193(3) 0.26014(13) 0.0225(8) Uani 1 d . . 
C32 C 0.8568(4) 0.0186(4) 0.29242(13) 0.0252(8) Uani 1 d . . 
H32 H 0.7700(4) -0.0258(4) 0.28113(13) 0.030 Uiso 1 d R . 
C33 C 0.8772(4) 0.0809(4) 0.34097(15) 0.0352(10) Uani 1 d . . 
H33 H 0.8043(4) 0.0787(4) 0.36227(15) 0.042 Uiso 1 d R . 
C34 C 1.0027(5) 0.1471(4) 0.3578(2) 0.0376(11) Uani 1 d . . 
H34 H 1.0165(5) 0.1909(4) 0.3908(2) 0.045 Uiso 1 calc R . 
C35 C 1.1077(5) 0.1492(4) 0.3262(2) 0.0374(10) Uani 1 d . . 
H35 H 1.1942(5) 0.1937(4) 0.3377(2) 0.045 Uiso 1 calc R . 
C36 C 1.0871(4) 0.0864(4) 0.27784(15) 0.0305(9) Uani 1 d . . 
H36 H 1.1599(4) 0.0876(4) 0.25649(15) 0.037 Uiso 1 d R . 
C41 C 0.7136(4) -0.2257(4) 0.02750(13) 0.0244(8) Uani 1 d . . 
C42 C 0.8149(4) -0.3191(4) 0.04780(14) 0.0286(9) Uani 1 d . . 
H42 H 0.8891(4) -0.2943(4) 0.07495(14) 0.034 Uiso 1 d R . 
C43 C 0.8080(4) -0.4470(4) 0.02873(15) 0.0358(10) Uani 1 d . . 
H43 H 0.8777(4) -0.5094(4) 0.04263(15) 0.043 Uiso 1 d R . 
C44 C 0.6994(4) -0.4833(4) -0.0106(2) 0.0359(10) Uani 1 d . . 
H44 H 0.6945(4) -0.5710(4) -0.0233(2) 0.043 Uiso 1 d R . 
C45 C 0.5981(4) -0.3928(4) -0.03119(15) 0.0304(9) Uani 1 d . . 
H45 H 0.5245(4) -0.4178(4) -0.05850(15) 0.036 Uiso 1 d R . 
C46 C 0.6048(4) -0.2657(4) -0.01210(14) 0.0276(9) Uani 1 d . . 
H46 H 0.5341(4) -0.2041(4) -0.02589(14) 0.033 Uiso 1 d 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 0.0193(5) 0.0255(5) 0.0170(5) -0.0009(4) 0.0026(4) 0.0007(4) 
P2 0.0200(5) 0.0291(6) 0.0202(5) -0.0032(4) 0.0011(4) 0.0021(4) 
N 0.023(2) 0.033(2) 0.020(2) -0.0045(14) 0.0025(12) 0.0016(14) 
C1 0.020(2) 0.026(2) 0.017(2) -0.001(2) 0.0030(14) 0.002(2) 
C2 0.032(2) 0.043(3) 0.028(2) -0.002(2) 0.007(2) 0.014(2) 
C3 0.042(3) 0.026(2) 0.023(2) -0.005(2) -0.004(2) 0.004(2) 
C4 0.025(2) 0.028(2) 0.025(2) -0.001(2) 0.004(2) 0.001(2) 
C5 0.032(2) 0.055(3) 0.028(2) 0.012(2) -0.003(2) -0.001(2) 
C6 0.042(3) 0.027(2) 0.039(3) 0.004(2) 0.004(2) -0.003(2) 
C11 0.018(2) 0.028(2) 0.022(2) 0.002(2) 0.000(2) 0.002(2) 
C12 0.021(2) 0.039(2) 0.022(2) 0.001(2) 0.003(2) 0.000(2) 
C13 0.022(2) 0.055(3) 0.025(2) 0.006(2) 0.004(2) -0.004(2) 
C14 0.033(2) 0.039(3) 0.039(2) 0.008(2) -0.002(2) -0.012(2) 
C15 0.041(2) 0.034(2) 0.027(2) 0.000(2) -0.001(2) -0.005(2) 
C16 0.030(2) 0.034(2) 0.022(2) -0.001(2) 0.005(2) -0.002(2) 
C21 0.018(2) 0.027(2) 0.016(2) -0.003(2) 0.0009(14) 0.000(2) 
C22 0.024(2) 0.028(2) 0.021(2) 0.000(2) 0.005(2) -0.003(2) 
C23 0.024(2) 0.033(2) 0.021(2) -0.001(2) -0.001(2) 0.004(2) 
C24 0.019(2) 0.046(3) 0.023(2) -0.008(2) 0.002(2) 0.000(2) 
C25 0.024(2) 0.034(2) 0.031(2) 0.003(2) 0.005(2) -0.007(2) 
C26 0.027(2) 0.026(2) 0.029(2) 0.000(2) 0.004(2) -0.001(2) 
C31 0.024(2) 0.023(2) 0.020(2) 0.004(2) -0.0015(15) 0.005(2) 
C32 0.026(2) 0.026(2) 0.024(2) 0.002(2) 0.006(2) 0.002(2) 
C33 0.045(3) 0.036(2) 0.026(2) 0.004(2) 0.011(2) 0.013(2) 
C34 0.058(3) 0.027(2) 0.022(2) 0.001(2) -0.010(2) 0.011(2) 
C35 0.042(3) 0.030(2) 0.035(2) 0.002(2) -0.011(2) -0.004(2) 
C36 0.030(2) 0.033(2) 0.026(2) 0.003(2) -0.003(2) -0.002(2) 
C41 0.027(2) 0.027(2) 0.021(2) -0.002(2) 0.008(2) -0.006(2) 
C42 0.031(2) 0.033(2) 0.022(2) 0.001(2) 0.005(2) -0.001(2) 
C43 0.045(3) 0.031(2) 0.032(2) 0.008(2) 0.005(2) 0.004(2) 
C44 0.050(3) 0.024(2) 0.036(2) 0.001(2) 0.014(2) -0.007(2) 
C45 0.037(2) 0.029(2) 0.026(2) 0.001(2) 0.007(2) -0.012(2) 
C46 0.026(2) 0.030(2) 0.028(2) -0.001(2) 0.007(2) 0.000(2) 
 
_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 N 1.572(3) . ? 
P1 C11 1.816(4) . ? 
P1 C1 1.819(3) . ? 
P1 C21 1.822(3) . ? 
P2 N 1.689(3) . ? 
P2 C4 1.828(4) . ? 
P2 C41 1.839(4) . ? 
C1 C31 1.510(5) . ? 
C1 C3 1.517(5) . ? 
C1 C2 1.522(5) . ? 
C2 C3 1.494(6) . ? 
C2 H2A 0.93(3) . ? 
C2 H2B 1.03(4) . ? 
C3 H3A 0.91(3) . ? 
C3 H3B 1.02(4) . ? 
C4 C6 1.501(6) . ? 
C4 C5 1.509(5) . ? 
C4 H4 0.98(4) . ? 
C5 C6 1.488(6) . ? 
C5 H5A 0.98(4) . ? 
C5 H5B 0.98(4) . ? 
C6 H6A 1.02(4) . ? 
C6 H6B 0.94(3) . ? 
C11 C12 1.388(5) . ? 
C11 C16 1.407(5) . ? 
C12 C13 1.382(5) . ? 
C12 H12 0.95 . ? 
C13 C14 1.377(6) . ? 
C13 H13 0.95 . ? 
C14 C15 1.394(5) . ? 
C14 H14 0.95 . ? 
C15 C16 1.386(5) . ? 
C15 H15 0.95 . ? 
C16 H16 0.95 . ? 
C21 C26 1.395(5) . ? 
C21 C22 1.398(5) . ? 
C22 C23 1.400(5) . ? 
C22 H22 0.95 . ? 
C23 C24 1.391(5) . ? 
C23 H23 0.95 . ? 
C24 C25 1.389(5) . ? 
C24 H24 0.95 . ? 
C25 C26 1.388(5) . ? 
C25 H25 0.95 . ? 
C26 H26 0.95 . ? 
C31 C32 1.394(5) . ? 
C31 C36 1.396(5) . ? 
C32 C33 1.387(5) . ? 
C32 H32 0.95 . ? 
C33 C34 1.387(6) . ? 
C33 H33 0.95 . ? 
C34 C35 1.384(6) . ? 
C34 H34 0.95 . ? 
C35 C36 1.386(5) . ? 
C35 H35 0.95 . ? 
C36 H36 0.95 . ? 
C41 C42 1.400(5) . ? 
C41 C46 1.400(5) . ? 
C42 C43 1.390(5) . ? 
C42 H42 0.95 . ? 
C43 C44 1.384(6) . ? 
C43 H43 0.95 . ? 
C44 C45 1.382(5) . ? 
C44 H44 0.95 . ? 
C45 C46 1.383(5) . ? 
C45 H45 0.95 . ? 
C46 H46 0.95 . ? 
 
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 
N P1 C11 112.8(2) . . ? 
N P1 C1 108.4(2) . . ? 
C11 P1 C1 106.0(2) . . ? 
N P1 C21 114.2(2) . . ? 
C11 P1 C21 107.1(2) . . ? 
C1 P1 C21 107.9(2) . . ? 
N P2 C4 102.7(2) . . ? 
N P2 C41 101.4(2) . . ? 
C4 P2 C41 96.5(2) . . ? 
P1 N P2 123.4(2) . . ? 
C31 C1 C3 119.0(3) . . ? 
C31 C1 C2 118.1(3) . . ? 
C3 C1 C2 58.9(3) . . ? 
C31 C1 P1 118.1(3) . . ? 
C3 C1 P1 115.0(3) . . ? 
C2 C1 P1 114.2(3) . . ? 
C3 C2 C1 60.4(3) . . ? 
C3 C2 H2A 121.5(22) . . ? 
C1 C2 H2A 119.7(22) . . ? 
C3 C2 H2B 117.7(21) . . ? 
C1 C2 H2B 114.5(21) . . ? 
H2A C2 H2B 113.1(29) . . ? 
C2 C3 C1 60.7(3) . . ? 
C2 C3 H3A 116.4(21) . . ? 
C1 C3 H3A 116.2(22) . . ? 
C2 C3 H3B 119.5(24) . . ? 
C1 C3 H3B 115.1(24) . . ? 
H3A C3 H3B 116.8(32) . . ? 
C6 C4 C5 59.2(3) . . ? 
C6 C4 P2 118.7(3) . . ? 
C5 C4 P2 119.2(3) . . ? 
C6 C4 H4 118.7(22) . . ? 
C5 C4 H4 115.8(21) . . ? 
P2 C4 H4 114.4(22) . . ? 
C6 C5 C4 60.1(3) . . ? 
C6 C5 H5A 115.6(23) . . ? 
C4 C5 H5A 115.7(23) . . ? 
C6 C5 H5B 118.9(24) . . ? 
C4 C5 H5B 118.1(23) . . ? 
H5A C5 H5B 116.5(32) . . ? 
C5 C6 C4 60.7(3) . . ? 
C5 C6 H6A 119.0(24) . . ? 
C4 C6 H6A 117.6(25) . . ? 
C5 C6 H6B 117.8(21) . . ? 
C4 C6 H6B 115.6(21) . . ? 
H6A C6 H6B 115.3(32) . . ? 
C12 C11 C16 119.2(3) . . ? 
C12 C11 P1 116.4(3) . . ? 
C16 C11 P1 124.4(3) . . ? 
C13 C12 C11 120.9(4) . . ? 
C13 C12 H12 119.6(2) . . ? 
C11 C12 H12 119.5(2) . . ? 
C14 C13 C12 119.8(4) . . ? 
C14 C13 H13 120.3(2) . . ? 
C12 C13 H13 119.9(2) . . ? 
C13 C14 C15 120.5(4) . . ? 
C13 C14 H14 119.6(2) . . ? 
C15 C14 H14 120.0(2) . . ? 
C16 C15 C14 120.0(4) . . ? 
C16 C15 H15 120.0(2) . . ? 
C14 C15 H15 120.0(2) . . ? 
C15 C16 C11 119.7(3) . . ? 
C15 C16 H16 120.2(2) . . ? 
C11 C16 H16 120.2(2) . . ? 
C26 C21 C22 119.0(3) . . ? 
C26 C21 P1 118.5(3) . . ? 
C22 C21 P1 121.7(3) . . ? 
C21 C22 C23 120.4(3) . . ? 
C21 C22 H22 119.7(2) . . ? 
C23 C22 H22 120.0(2) . . ? 
C24 C23 C22 120.0(4) . . ? 
C24 C23 H23 120.1(2) . . ? 
C22 C23 H23 119.9(2) . . ? 
C25 C24 C23 119.6(3) . . ? 
C25 C24 H24 120.2(2) . . ? 
C23 C24 H24 120.1(2) . . ? 
C26 C25 C24 120.5(3) . . ? 
C26 C25 H25 119.8(2) . . ? 
C24 C25 H25 119.7(2) . . ? 
C25 C26 C21 120.5(3) . . ? 
C25 C26 H26 119.7(2) . . ? 
C21 C26 H26 119.8(2) . . ? 
C32 C31 C36 117.9(3) . . ? 
C32 C31 C1 121.0(3) . . ? 
C36 C31 C1 121.0(3) . . ? 
C33 C32 C31 121.2(4) . . ? 
C33 C32 H32 119.3(2) . . ? 
C31 C32 H32 119.5(2) . . ? 
C34 C33 C32 120.0(4) . . ? 
C34 C33 H33 120.4(2) . . ? 
C32 C33 H33 119.6(2) . . ? 
C35 C34 C33 119.6(4) . . ? 
C35 C34 H34 120.2(2) . . ? 
C33 C34 H34 120.2(2) . . ? 
C34 C35 C36 120.2(4) . . ? 
C34 C35 H35 119.9(2) . . ? 
C36 C35 H35 119.9(2) . . ? 
C35 C36 C31 121.1(4) . . ? 
C35 C36 H36 119.7(2) . . ? 
C31 C36 H36 119.2(2) . . ? 
C42 C41 C46 117.9(3) . . ? 
C42 C41 P2 124.3(3) . . ? 
C46 C41 P2 117.8(3) . . ? 
C43 C42 C41 120.8(4) . . ? 
C43 C42 H42 119.9(2) . . ? 
C41 C42 H42 119.3(2) . . ? 
C44 C43 C42 119.9(4) . . ? 
C44 C43 H43 120.0(2) . . ? 
C42 C43 H43 120.1(2) . . ? 
C45 C44 C43 120.4(4) . . ? 
C45 C44 H44 119.9(2) . . ? 
C43 C44 H44 119.7(2) . . ? 
C44 C45 C46 119.8(4) . . ? 
C44 C45 H45 120.1(2) . . ? 
C46 C45 H45 120.1(2) . . ? 
C45 C46 C41 121.3(4) . . ? 
C45 C46 H46 119.6(2) . . ? 
C41 C46 H46 119.1(2) . . ? 
 
_refine_diff_density_max    0.306 
_refine_diff_density_min   -0.311 
_refine_diff_density_rms    0.068