# Electronic Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2012 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # ####################################################################### data_fy11 _database_code_depnum_ccdc_archive 'CCDC 879594' #TrackingRef 'FY11.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C37 H35 O5 P' _chemical_formula_weight 590.62 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' 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' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 11.0389(9) _cell_length_b 11.7426(10) _cell_length_c 13.2377(11) _cell_angle_alpha 68.091(2) _cell_angle_beta 77.2830(10) _cell_angle_gamma 80.2790(10) _cell_volume 1545.8(2) _cell_formula_units_Z 2 _cell_measurement_temperature 153(2) _cell_measurement_reflns_used 7240 _cell_measurement_theta_min 0.00 _cell_measurement_theta_max 0.00 _exptl_crystal_description ? _exptl_crystal_colour colorless _exptl_crystal_size_max 0.70 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas 0 _exptl_crystal_density_diffrn 1.269 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 624 _exptl_absorpt_coefficient_mu 0.132 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.806184 _exptl_absorpt_correction_T_max 1.000000 _exptl_absorpt_process_details empirical(SADABS) _exptl_special_details ; ? ; _diffrn_ambient_temperature 153(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoKa _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 11532 _diffrn_reflns_av_R_equivalents 0.0179 _diffrn_reflns_av_sigmaI/netI 0.0286 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 10 _diffrn_reflns_theta_min 1.68 _diffrn_reflns_theta_max 28.29 _reflns_number_total 7570 _reflns_number_gt 6678 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _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^)+(0.0789P)^2^+0.4509P] 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 none _refine_ls_extinction_coef ? _refine_ls_number_reflns 7570 _refine_ls_number_parameters 390 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0493 _refine_ls_R_factor_gt 0.0443 _refine_ls_wR_factor_ref 0.1309 _refine_ls_wR_factor_gt 0.1252 _refine_ls_goodness_of_fit_ref 1.029 _refine_ls_restrained_S_all 1.029 _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 C1 C 0.83752(12) 0.25598(12) 0.07401(10) 0.0287(3) Uani 1 1 d . . . C2 C 0.85077(17) 0.17978(18) 0.01312(14) 0.0491(4) Uani 1 1 d . . . H2 H 0.7824 0.1381 0.0169 0.059 Uiso 1 1 calc R . . C3 C 0.96389(19) 0.1641(2) -0.05352(17) 0.0608(5) Uani 1 1 d . . . H3 H 0.9730 0.1107 -0.0943 0.073 Uiso 1 1 calc R . . C4 C 1.06308(16) 0.22596(18) -0.06065(15) 0.0497(4) Uani 1 1 d . . . H4 H 1.1401 0.2156 -0.1068 0.060 Uiso 1 1 calc R . . C5 C 1.05041(14) 0.30256(17) -0.00093(15) 0.0451(4) Uani 1 1 d . . . H5 H 1.1187 0.3450 -0.0058 0.054 Uiso 1 1 calc R . . C6 C 0.93793(13) 0.31779(15) 0.06633(13) 0.0377(3) Uani 1 1 d . . . H6 H 0.9295 0.3708 0.1074 0.045 Uiso 1 1 calc R . . C7 C 0.66737(11) 0.42294(11) 0.16470(10) 0.0255(2) Uani 1 1 d . . . C8 C 0.61110(13) 0.51733(13) 0.08321(12) 0.0340(3) Uani 1 1 d . . . H8 H 0.5859 0.4994 0.0270 0.041 Uiso 1 1 calc R . . C9 C 0.59154(13) 0.63730(14) 0.08342(13) 0.0387(3) Uani 1 1 d . . . H9 H 0.5525 0.7007 0.0280 0.046 Uiso 1 1 calc R . . C10 C 0.62886(13) 0.66415(13) 0.16413(13) 0.0364(3) Uani 1 1 d . . . H10 H 0.6152 0.7461 0.1645 0.044 Uiso 1 1 calc R . . C11 C 0.68643(13) 0.57145(13) 0.24492(12) 0.0324(3) Uani 1 1 d . . . H11 H 0.7130 0.5904 0.2999 0.039 Uiso 1 1 calc R . . C12 C 0.70534(12) 0.45085(12) 0.24578(11) 0.0275(2) Uani 1 1 d . . . H12 H 0.7441 0.3876 0.3016 0.033 Uiso 1 1 calc R . . C13 C 0.70250(11) 0.16551(11) 0.29720(10) 0.0232(2) Uani 1 1 d . . . C14 C 0.61524(11) 0.15836(10) 0.38841(10) 0.0228(2) Uani 1 1 d . . . C15 C 0.64170(11) 0.08470(11) 0.50416(10) 0.0243(2) Uani 1 1 d . . . H15A H 0.7319 0.0769 0.5064 0.029 Uiso 1 1 calc R . . H15B H 0.6132 0.0013 0.5311 0.029 Uiso 1 1 calc R . . C16 C 0.56620(11) 0.16140(11) 0.57292(10) 0.0240(2) Uani 1 1 d . . . C17 C 0.44794(11) 0.21453(12) 0.52038(10) 0.0268(2) Uani 1 1 d . . . H17A H 0.3795 0.1610 0.5598 0.032 Uiso 1 1 calc R . . H17B H 0.4197 0.2983 0.5228 0.032 Uiso 1 1 calc R . . C18 C 0.48608(11) 0.21859(11) 0.40192(10) 0.0239(2) Uani 1 1 d . . . C19 C 0.41254(11) 0.25651(11) 0.32413(11) 0.0261(2) Uani 1 1 d . . . H19 H 0.4514 0.2467 0.2559 0.031 Uiso 1 1 calc R . . C20 C 0.82469(11) 0.08772(11) 0.30998(10) 0.0242(2) Uani 1 1 d . . . C21 C 0.84260(12) -0.02579(13) 0.29607(11) 0.0301(3) Uani 1 1 d . . . H21 H 0.7783 -0.0533 0.2760 0.036 Uiso 1 1 calc R . . C22 C 0.95480(14) -0.09943(14) 0.31151(13) 0.0373(3) Uani 1 1 d . . . H22 H 0.9662 -0.1777 0.3033 0.045 Uiso 1 1 calc R . . C23 C 1.04988(13) -0.05898(15) 0.33888(13) 0.0383(3) Uani 1 1 d . . . H23 H 1.1263 -0.1094 0.3493 0.046 Uiso 1 1 calc R . . C24 C 1.03333(13) 0.05458(15) 0.35092(14) 0.0391(3) Uani 1 1 d . . . H24 H 1.0988 0.0828 0.3688 0.047 Uiso 1 1 calc R . . C25 C 0.92140(13) 0.12755(13) 0.33701(13) 0.0337(3) Uani 1 1 d . . . H25 H 0.9104 0.2054 0.3460 0.040 Uiso 1 1 calc R . . C26 C 0.28216(12) 0.31046(12) 0.32765(11) 0.0284(3) Uani 1 1 d . . . C27 C 0.24156(14) 0.36650(13) 0.22560(13) 0.0353(3) Uani 1 1 d . . . H27 H 0.2975 0.3659 0.1600 0.042 Uiso 1 1 calc R . . C28 C 0.12109(15) 0.42285(15) 0.21849(15) 0.0437(4) Uani 1 1 d . . . H28 H 0.0961 0.4626 0.1483 0.052 Uiso 1 1 calc R . . C29 C 0.03775(14) 0.42129(15) 0.31298(16) 0.0462(4) Uani 1 1 d . . . H29 H -0.0446 0.4601 0.3082 0.055 Uiso 1 1 calc R . . C30 C 0.07422(14) 0.36336(17) 0.41443(16) 0.0483(4) Uani 1 1 d . . . H30 H 0.0160 0.3605 0.4797 0.058 Uiso 1 1 calc R . . C31 C 0.19598(13) 0.30879(15) 0.42231(13) 0.0396(3) Uani 1 1 d . . . H31 H 0.2202 0.2702 0.4929 0.048 Uiso 1 1 calc R . . C32 C 0.64144(11) 0.26481(11) 0.56326(10) 0.0257(2) Uani 1 1 d . . . C33 C 0.64816(15) 0.41597(14) 0.64113(15) 0.0421(4) Uani 1 1 d . . . H33A H 0.5878 0.4776 0.6648 0.051 Uiso 1 1 calc R . . H33B H 0.6981 0.4597 0.5688 0.051 Uiso 1 1 calc R . . C34 C 0.73165(19) 0.35342(17) 0.7238(2) 0.0568(5) Uani 1 1 d . . . H34A H 0.6823 0.3083 0.7947 0.085 Uiso 1 1 calc R . . H34B H 0.7738 0.4151 0.7331 0.085 Uiso 1 1 calc R . . H34C H 0.7941 0.2956 0.6983 0.085 Uiso 1 1 calc R . . C35 C 0.53609(12) 0.08460(12) 0.69559(10) 0.0265(2) Uani 1 1 d . . . C36 C 0.63201(16) -0.05678(15) 0.84659(12) 0.0406(3) Uani 1 1 d . . . H36A H 0.6925 -0.1307 0.8534 0.049 Uiso 1 1 calc R . . H36B H 0.5472 -0.0843 0.8753 0.049 Uiso 1 1 calc R . . C37 C 0.65880(19) 0.01179(18) 0.91245(14) 0.0506(4) Uani 1 1 d . . . H37A H 0.7432 0.0380 0.8844 0.076 Uiso 1 1 calc R . . H37B H 0.6526 -0.0419 0.9902 0.076 Uiso 1 1 calc R . . H37C H 0.5982 0.0844 0.9061 0.076 Uiso 1 1 calc R . . O1 O 0.58815(9) 0.24784(10) 0.10832(8) 0.0341(2) Uani 1 1 d . . . O2 O 0.74021(9) 0.28840(9) 0.50443(8) 0.0331(2) Uani 1 1 d . . . O3 O 0.58091(9) 0.32502(10) 0.63005(10) 0.0388(2) Uani 1 1 d . . . O4 O 0.43393(9) 0.08103(10) 0.75148(8) 0.0362(2) Uani 1 1 d . . . O5 O 0.64092(9) 0.02265(10) 0.73070(8) 0.0348(2) Uani 1 1 d . . . P1 P 0.68695(3) 0.26958(3) 0.15810(3) 0.02495(10) Uani 1 1 d . . . 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 C1 0.0273(6) 0.0358(6) 0.0231(6) -0.0092(5) -0.0043(5) -0.0055(5) C2 0.0470(9) 0.0688(11) 0.0439(9) -0.0347(8) 0.0080(7) -0.0236(8) C3 0.0602(12) 0.0807(14) 0.0554(11) -0.0479(11) 0.0167(9) -0.0221(10) C4 0.0383(8) 0.0637(11) 0.0432(9) -0.0231(8) 0.0099(7) -0.0064(7) C5 0.0258(7) 0.0586(10) 0.0517(9) -0.0229(8) 0.0022(6) -0.0091(6) C6 0.0272(7) 0.0477(8) 0.0444(8) -0.0239(7) -0.0023(6) -0.0065(6) C7 0.0193(5) 0.0297(6) 0.0246(6) -0.0054(5) -0.0036(4) -0.0045(4) C8 0.0284(6) 0.0393(7) 0.0296(7) -0.0024(5) -0.0105(5) -0.0061(5) C9 0.0297(7) 0.0349(7) 0.0384(8) 0.0026(6) -0.0083(6) -0.0007(5) C10 0.0286(6) 0.0290(6) 0.0419(8) -0.0070(6) 0.0022(6) -0.0009(5) C11 0.0316(7) 0.0327(6) 0.0325(7) -0.0123(5) -0.0022(5) -0.0039(5) C12 0.0248(6) 0.0294(6) 0.0267(6) -0.0071(5) -0.0063(5) -0.0022(5) C13 0.0202(5) 0.0252(5) 0.0258(6) -0.0083(4) -0.0069(4) -0.0040(4) C14 0.0198(5) 0.0229(5) 0.0269(6) -0.0075(4) -0.0071(4) -0.0042(4) C15 0.0230(5) 0.0239(5) 0.0253(6) -0.0065(4) -0.0064(4) -0.0024(4) C16 0.0201(5) 0.0259(5) 0.0256(6) -0.0071(4) -0.0044(4) -0.0049(4) C17 0.0195(5) 0.0328(6) 0.0271(6) -0.0090(5) -0.0049(4) -0.0023(4) C18 0.0197(5) 0.0239(5) 0.0268(6) -0.0064(4) -0.0043(4) -0.0045(4) C19 0.0204(5) 0.0282(6) 0.0288(6) -0.0070(5) -0.0057(4) -0.0051(4) C20 0.0192(5) 0.0291(6) 0.0232(5) -0.0076(4) -0.0034(4) -0.0031(4) C21 0.0237(6) 0.0344(6) 0.0344(7) -0.0156(5) -0.0016(5) -0.0047(5) C22 0.0311(7) 0.0352(7) 0.0448(8) -0.0178(6) -0.0023(6) 0.0027(5) C23 0.0245(6) 0.0449(8) 0.0411(8) -0.0137(6) -0.0063(5) 0.0061(6) C24 0.0235(6) 0.0493(8) 0.0475(8) -0.0173(7) -0.0135(6) -0.0011(6) C25 0.0257(6) 0.0348(7) 0.0454(8) -0.0165(6) -0.0125(6) -0.0018(5) C26 0.0219(6) 0.0282(6) 0.0365(7) -0.0088(5) -0.0106(5) -0.0048(5) C27 0.0325(7) 0.0378(7) 0.0420(8) -0.0155(6) -0.0178(6) -0.0012(5) C28 0.0380(8) 0.0438(8) 0.0581(10) -0.0178(7) -0.0304(7) 0.0016(6) C29 0.0248(7) 0.0444(8) 0.0750(12) -0.0207(8) -0.0234(7) 0.0013(6) C30 0.0223(7) 0.0578(10) 0.0577(10) -0.0141(8) -0.0053(6) -0.0011(6) C31 0.0221(6) 0.0491(8) 0.0398(8) -0.0061(6) -0.0070(5) -0.0023(6) C32 0.0234(6) 0.0245(5) 0.0281(6) -0.0062(5) -0.0063(5) -0.0037(4) C33 0.0369(8) 0.0335(7) 0.0641(10) -0.0274(7) -0.0004(7) -0.0112(6) C34 0.0542(11) 0.0464(9) 0.0871(14) -0.0371(10) -0.0212(10) -0.0068(8) C35 0.0263(6) 0.0296(6) 0.0263(6) -0.0089(5) -0.0060(5) -0.0101(5) C36 0.0449(8) 0.0425(8) 0.0298(7) 0.0005(6) -0.0138(6) -0.0128(6) C37 0.0591(11) 0.0606(10) 0.0345(8) -0.0112(7) -0.0112(7) -0.0202(9) O1 0.0294(5) 0.0468(6) 0.0311(5) -0.0131(4) -0.0111(4) -0.0106(4) O2 0.0274(5) 0.0381(5) 0.0347(5) -0.0129(4) 0.0002(4) -0.0124(4) O3 0.0296(5) 0.0389(5) 0.0556(7) -0.0282(5) 0.0050(4) -0.0120(4) O4 0.0290(5) 0.0453(6) 0.0309(5) -0.0084(4) -0.0001(4) -0.0126(4) O5 0.0304(5) 0.0422(5) 0.0273(5) -0.0023(4) -0.0105(4) -0.0077(4) P1 0.02110(16) 0.03195(17) 0.02351(16) -0.00888(12) -0.00616(11) -0.00594(12) _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 1.384(2) . ? C1 C6 1.3903(19) . ? C1 P1 1.8043(14) . ? C2 C3 1.389(2) . ? C3 C4 1.381(3) . ? C4 C5 1.376(3) . ? C5 C6 1.387(2) . ? C7 C12 1.3935(18) . ? C7 C8 1.3958(17) . ? C7 P1 1.8097(13) . ? C8 C9 1.390(2) . ? C9 C10 1.378(2) . ? C10 C11 1.389(2) . ? C11 C12 1.3923(18) . ? C13 C14 1.3537(17) . ? C13 C20 1.5005(16) . ? C13 P1 1.8173(12) . ? C14 C18 1.4855(16) . ? C14 C15 1.5179(16) . ? C15 C16 1.5357(17) . ? C16 C35 1.5269(17) . ? C16 C32 1.5358(16) . ? C16 C17 1.5421(16) . ? C17 C18 1.5162(17) . ? C18 C19 1.3496(17) . ? C19 C26 1.4695(17) . ? C20 C21 1.3884(18) . ? C20 C25 1.3959(17) . ? C21 C22 1.3935(19) . ? C22 C23 1.387(2) . ? C23 C24 1.379(2) . ? C24 C25 1.3855(19) . ? C26 C31 1.392(2) . ? C26 C27 1.4008(19) . ? C27 C28 1.388(2) . ? C28 C29 1.376(3) . ? C29 C30 1.376(3) . ? C30 C31 1.396(2) . ? C32 O2 1.1997(16) . ? C32 O3 1.3323(16) . ? C33 O3 1.4647(16) . ? C33 C34 1.484(3) . ? C35 O4 1.2026(16) . ? C35 O5 1.3359(16) . ? C36 O5 1.4594(16) . ? C36 C37 1.488(2) . ? O1 P1 1.4918(9) . ? 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 C6 119.23(13) . . ? C2 C1 P1 116.59(11) . . ? C6 C1 P1 124.18(11) . . ? C1 C2 C3 120.15(15) . . ? C4 C3 C2 120.18(16) . . ? C5 C4 C3 120.03(15) . . ? C4 C5 C6 119.99(15) . . ? C5 C6 C1 120.42(14) . . ? C12 C7 C8 119.08(12) . . ? C12 C7 P1 123.66(9) . . ? C8 C7 P1 117.27(10) . . ? C9 C8 C7 120.66(13) . . ? C10 C9 C8 119.95(13) . . ? C9 C10 C11 120.01(13) . . ? C10 C11 C12 120.35(13) . . ? C11 C12 C7 119.95(12) . . ? C14 C13 C20 118.95(11) . . ? C14 C13 P1 124.79(9) . . ? C20 C13 P1 116.18(9) . . ? C13 C14 C18 131.46(11) . . ? C13 C14 C15 122.13(11) . . ? C18 C14 C15 106.33(10) . . ? C14 C15 C16 103.32(9) . . ? C35 C16 C32 107.07(10) . . ? C35 C16 C15 112.41(10) . . ? C32 C16 C15 109.82(10) . . ? C35 C16 C17 112.42(10) . . ? C32 C16 C17 111.12(10) . . ? C15 C16 C17 104.04(10) . . ? C18 C17 C16 105.21(10) . . ? C19 C18 C14 124.42(12) . . ? C19 C18 C17 126.78(11) . . ? C14 C18 C17 108.37(10) . . ? C18 C19 C26 130.56(12) . . ? C21 C20 C25 119.04(12) . . ? C21 C20 C13 120.28(11) . . ? C25 C20 C13 120.68(11) . . ? C20 C21 C22 120.05(12) . . ? C23 C22 C21 120.30(13) . . ? C24 C23 C22 119.87(13) . . ? C23 C24 C25 120.10(13) . . ? C24 C25 C20 120.64(13) . . ? C31 C26 C27 117.70(13) . . ? C31 C26 C19 126.16(12) . . ? C27 C26 C19 116.13(13) . . ? C28 C27 C26 121.25(15) . . ? C29 C28 C27 120.08(15) . . ? C30 C29 C28 119.73(14) . . ? C29 C30 C31 120.62(16) . . ? C26 C31 C30 120.56(15) . . ? O2 C32 O3 124.69(12) . . ? O2 C32 C16 125.31(12) . . ? O3 C32 C16 110.01(10) . . ? O3 C33 C34 109.88(13) . . ? O4 C35 O5 125.60(12) . . ? O4 C35 C16 125.13(12) . . ? O5 C35 C16 109.27(10) . . ? O5 C36 C37 109.81(13) . . ? C32 O3 C33 116.50(11) . . ? C35 O5 C36 117.83(11) . . ? O1 P1 C1 109.74(6) . . ? O1 P1 C7 112.77(6) . . ? C1 P1 C7 106.02(6) . . ? O1 P1 C13 116.58(6) . . ? C1 P1 C13 105.70(6) . . ? C7 P1 C13 105.29(6) . . ? _diffrn_measured_fraction_theta_max 0.984 _diffrn_reflns_theta_full 28.29 _diffrn_measured_fraction_theta_full 0.984 _refine_diff_density_max 0.583 _refine_diff_density_min -0.333 _refine_diff_density_rms 0.053