# Copyright The Royal Society of Chemistry, 1999 # CCDC Number: 207/283 data_ova4 _audit_creation_method SHELXL _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'C22 H32 O7' _chemical_formula_weight 408.48 _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' 'O' 'O' 0.0106 0.0060 '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) loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z' _cell_length_a 10.217(2) _cell_length_b 11.655(2) _cell_length_c 10.936(2) _cell_angle_alpha 90.00 _cell_angle_beta 117.38(3) _cell_angle_gamma 90.00 _cell_volume 1156.4(4) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description prismatic _exptl_crystal_colour colourless _exptl_crystal_size_max 0.6 _exptl_crystal_size_mid 0.4 _exptl_crystal_size_min 0.2 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.173 _exptl_crystal_density_method ? _exptl_crystal_F_000 440 _exptl_absorpt_coefficient_mu 0.087 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _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 'Siemens P4' _diffrn_measurement_method '\w scans' _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 2741 _diffrn_reflns_av_R_equivalents 0.0833 _diffrn_reflns_av_sigmaI/netI 0.0543 _diffrn_reflns_limit_h_min -1 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -1 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_theta_min 2.10 _diffrn_reflns_theta_max 25.00 _reflns_number_total 2329 _reflns_number_observed 2020 _reflns_observed_criterion >2sigma(I) _computing_data_collection 'Siemens XSCANS' _computing_cell_refinement 'Siemens XSCANS' _computing_data_reduction 'Siemens SHELXTL' _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics 'Siemens SHELXTL' _computing_publication_material 'Siemens SHELXTL' _refine_special_details ; Refinement on F^2^ for ALL reflections except for 4 with very negative F^2^ or flagged by the user for potential systematic errors. 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. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme 'calc w=1/[\s^2^(Fo^2^)+(0.0717P)^2^+0.3857P] 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 ? _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack -0.13(190) _refine_ls_number_reflns 2325 _refine_ls_number_parameters 291 _refine_ls_number_restraints 15 _refine_ls_R_factor_all 0.0628 _refine_ls_R_factor_obs 0.0495 _refine_ls_wR_factor_all 0.1816 _refine_ls_wR_factor_obs 0.1253 _refine_ls_goodness_of_fit_all 1.107 _refine_ls_goodness_of_fit_obs 1.002 _refine_ls_restrained_S_all 1.337 _refine_ls_restrained_S_obs 1.001 _refine_ls_shift/esd_max -0.001 _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 O1 O 0.0049(3) 0.9748(2) 0.5138(3) 0.0419(6) Uani 1 d . . O2 O -0.0289(3) 0.7826(2) 0.5321(3) 0.0438(6) Uani 1 d . . O3 O 0.2442(3) 1.1187(3) 0.6710(3) 0.0582(8) Uani 1 d . . H3 H 0.3245(7) 1.1510(11) 0.7069(59) 0.087 Uiso 1 calc R . O4 O 0.1155(3) 0.6830(3) 0.7902(3) 0.0643(9) Uani 1 d . . O5 O -0.0349(3) 0.9912(3) 0.7294(3) 0.0567(8) Uani 1 d . . O6 O 0.3315(3) 0.7379(3) 0.8000(3) 0.0490(7) Uani 1 d . . O7 O 0.2012(3) 0.9581(4) 0.8793(3) 0.0640(9) Uani 1 d . . C1 C 0.3008(4) 0.9798(5) 0.5375(4) 0.0550(11) Uani 1 d . . C2 C 0.2429(6) 1.0484(7) 0.4211(5) 0.076(2) Uani 1 d . . H2 H 0.1825(6) 1.1100(7) 0.4155(5) 0.091 Uiso 1 calc R . C3 C 0.2745(8) 1.0259(10) 0.3128(7) 0.113(3) Uani 1 d . . H3A H 0.2379(8) 1.0735(10) 0.2360(7) 0.135 Uiso 1 calc R . C4 C 0.3608(9) 0.9318(12) 0.3200(9) 0.128(4) Uani 1 d . . H4 H 0.3790(9) 0.9151(12) 0.2461(9) 0.154 Uiso 1 calc R . C5 C 0.4209(7) 0.8616(9) 0.4368(9) 0.104(3) Uani 1 d . . H5 H 0.4793(7) 0.7990(9) 0.4411(9) 0.125 Uiso 1 calc R . C6 C 0.3923(5) 0.8864(6) 0.5445(6) 0.0731(15) Uani 1 d . . H6 H 0.4337(5) 0.8413(6) 0.6234(6) 0.088 Uiso 1 calc R . C7 C 0.2646(4) 1.0005(4) 0.6540(4) 0.0441(9) Uani 1 d . . H7 H 0.3478(4) 0.9732(4) 0.7389(4) 0.053 Uiso 1 calc R . C8 C 0.1250(4) 0.9367(3) 0.6375(4) 0.0388(8) Uani 1 d . . C9 C 0.1234(4) 0.8054(3) 0.6142(4) 0.0383(8) Uani 1 d . . H9 H 0.1767(4) 0.7880(3) 0.5614(4) 0.046 Uiso 1 calc R . C10 C 0.1860(4) 0.7330(4) 0.7454(4) 0.0416(8) Uani 1 d . . C11 C -0.0860(4) 0.8801(4) 0.4393(4) 0.0416(8) Uani 1 d . . C12 C -0.2415(4) 0.9006(4) 0.4135(4) 0.0559(12) Uani 1 d . . H12A H -0.2444(8) 0.9053(32) 0.4999(4) 0.084 Uiso 1 calc R . H12B H -0.3028(9) 0.8384(17) 0.3602(33) 0.084 Uiso 1 calc R . H12C H -0.2768(15) 0.9712(17) 0.3639(34) 0.084 Uiso 1 calc R . C13 C -0.0714(5) 0.8615(5) 0.3102(4) 0.0562(11) Uani 1 d . . H13A H -0.1398(29) 0.8034(22) 0.2552(18) 0.084 Uiso 1 calc R . H13B H 0.0272(12) 0.8373(30) 0.3340(4) 0.084 Uiso 1 calc R . H13C H -0.0924(38) 0.9318(9) 0.2590(19) 0.084 Uiso 1 calc R . C14 C 0.1021(4) 0.9643(4) 0.7635(4) 0.0430(8) Uani 1 d . . C15 C -0.0872(5) 1.0148(5) 0.8349(5) 0.0658(14) Uani 1 d D . C16A C -0.2466(13) 1.0456(35) 0.7477(25) 0.127(9) Uani 0.73(6) d PDU 1 H16A H -0.2980(13) 0.9812(35) 0.6914(25) 0.191 Uiso 0.73(6) calc PR 1 H16B H -0.2534(13) 1.1097(35) 0.6898(25) 0.191 Uiso 0.73(6) calc PR 1 H16C H -0.2900(13) 1.0657(35) 0.8061(25) 0.191 Uiso 0.73(6) calc PR 1 C16B C -0.2494(25) 0.9982(72) 0.7471(56) 0.116(9) Uani 0.27(6) d PDU 2 H16D H -0.2669(25) 0.9245(72) 0.7030(56) 0.173 Uiso 0.27(6) calc PR 2 H16E H -0.2868(25) 1.0573(72) 0.6783(56) 0.173 Uiso 0.27(6) calc PR 2 H16F H -0.2986(25) 1.0020(72) 0.8036(56) 0.173 Uiso 0.27(6) calc PR 2 C17 C -0.0104(7) 1.1154(6) 0.9196(6) 0.080(2) Uani 1 d . . H17A H 0.0926(11) 1.0984(15) 0.9724(37) 0.121 Uiso 1 calc R . H17B H -0.0513(36) 1.1332(26) 0.9807(35) 0.121 Uiso 1 calc R . H17C H -0.0226(44) 1.1799(12) 0.8607(7) 0.121 Uiso 1 calc R . C18 C -0.0593(11) 0.9081(7) 0.9224(10) 0.127(3) Uani 1 d . . H18A H -0.0959(70) 0.8421(10) 0.8638(10) 0.191 Uiso 1 calc R . H18B H -0.1089(67) 0.9149(27) 0.9783(56) 0.191 Uiso 1 calc R . H18C H 0.0447(14) 0.8996(34) 0.9807(52) 0.191 Uiso 1 calc R . C19 C 0.4327(5) 0.6884(4) 0.9369(4) 0.0527(11) Uani 1 d D . C20 C 0.5833(5) 0.7208(8) 0.9504(6) 0.087(2) Uani 1 d . . H20A H 0.6591(5) 0.6908(40) 1.0351(28) 0.130 Uiso 1 calc R . H20B H 0.5916(22) 0.8029(8) 0.9501(54) 0.130 Uiso 1 calc R . H20C H 0.5941(24) 0.6893(39) 0.8744(31) 0.130 Uiso 1 calc R . C21 C 0.4073(5) 0.7439(5) 1.0473(5) 0.0658(13) Uani 1 d . . H21A H 0.4775(29) 0.7151(25) 1.1355(6) 0.099 Uiso 1 calc R . H21B H 0.3093(16) 0.7269(28) 1.0329(24) 0.099 Uiso 1 calc R . H21C H 0.4187(41) 0.8255(6) 1.0444(25) 0.099 Uiso 1 calc R . C22A C 0.4075(21) 0.5590(8) 0.9413(21) 0.072(4) Uani 0.73(6) d PDU 1 H22A H 0.4850(40) 0.5270(12) 1.0236(38) 0.108 Uiso 0.73(6) calc PR 1 H22B H 0.4074(71) 0.5229(11) 0.8623(39) 0.108 Uiso 0.73(6) calc PR 1 H22C H 0.3144(35) 0.5461(8) 0.9406(65) 0.108 Uiso 0.73(6) calc PR 1 C22B C 0.4371(63) 0.5620(24) 0.9059(47) 0.074(7) Uani 0.27(6) d PDU 2 H22D H 0.5085(144) 0.5237(35) 0.9869(64) 0.111 Uiso 0.27(6) calc PR 2 H22E H 0.4639(174) 0.5536(25) 0.8330(118) 0.111 Uiso 0.27(6) calc PR 2 H22F H 0.3417(81) 0.5286(38) 0.8783(164) 0.111 Uiso 0.27(6) calc PR 2 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 O1 0.0381(12) 0.0383(14) 0.0379(13) 0.0050(12) 0.0078(10) 0.0053(11) O2 0.0346(12) 0.0409(15) 0.0415(14) 0.0025(12) 0.0052(11) 0.0002(11) O3 0.062(2) 0.042(2) 0.060(2) -0.010(2) 0.0187(15) -0.0105(14) O4 0.057(2) 0.069(2) 0.055(2) 0.017(2) 0.0158(15) -0.008(2) O5 0.0461(14) 0.076(2) 0.0484(15) -0.012(2) 0.0223(12) 0.001(2) O6 0.0400(13) 0.056(2) 0.0398(14) 0.0069(14) 0.0086(11) 0.0128(14) O7 0.063(2) 0.083(2) 0.0378(14) 0.002(2) 0.0164(13) 0.020(2) C1 0.037(2) 0.073(3) 0.051(2) -0.008(2) 0.016(2) -0.013(2) C2 0.066(3) 0.105(4) 0.058(3) 0.004(3) 0.030(2) -0.006(3) C3 0.098(5) 0.182(10) 0.066(4) 0.006(5) 0.045(4) -0.024(6) C4 0.107(5) 0.205(12) 0.109(6) -0.059(7) 0.082(5) -0.056(7) C5 0.076(4) 0.135(7) 0.133(6) -0.033(6) 0.074(4) -0.019(4) C6 0.048(2) 0.091(4) 0.086(3) -0.015(3) 0.036(2) -0.010(3) C7 0.038(2) 0.043(2) 0.040(2) 0.000(2) 0.0088(15) -0.001(2) C8 0.031(2) 0.043(2) 0.034(2) 0.003(2) 0.0083(14) 0.006(2) C9 0.034(2) 0.038(2) 0.036(2) -0.001(2) 0.0104(14) 0.0049(15) C10 0.044(2) 0.035(2) 0.039(2) -0.001(2) 0.014(2) 0.004(2) C11 0.037(2) 0.040(2) 0.037(2) 0.001(2) 0.0087(15) 0.003(2) C12 0.037(2) 0.066(3) 0.051(2) -0.002(2) 0.008(2) 0.006(2) C13 0.058(2) 0.059(3) 0.042(2) -0.003(2) 0.014(2) 0.000(2) C14 0.043(2) 0.037(2) 0.043(2) 0.001(2) 0.014(2) 0.002(2) C15 0.063(3) 0.081(4) 0.067(3) -0.020(3) 0.042(2) -0.007(3) C16A 0.060(4) 0.211(27) 0.112(5) -0.080(12) 0.040(4) 0.002(7) C16B 0.054(5) 0.210(28) 0.108(7) -0.083(13) 0.059(5) 0.008(9) C17 0.099(4) 0.086(4) 0.070(3) -0.018(3) 0.051(3) -0.006(4) C18 0.198(10) 0.090(5) 0.165(8) -0.006(6) 0.144(8) -0.017(6) C19 0.051(2) 0.049(2) 0.041(2) 0.004(2) 0.006(2) 0.007(2) C20 0.042(2) 0.126(6) 0.072(3) 0.010(4) 0.008(2) 0.017(3) C21 0.073(3) 0.063(3) 0.042(2) 0.003(2) 0.010(2) 0.002(3) C22A 0.094(8) 0.043(3) 0.041(7) 0.002(3) -0.002(5) 0.013(4) C22B 0.092(10) 0.044(6) 0.046(10) 0.002(7) -0.003(7) 0.014(6) _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 O1 C8 1.416(4) . ? O1 C11 1.432(5) . ? O2 C9 1.418(5) . ? O2 C11 1.455(5) . ? O3 C7 1.419(5) . ? O4 C10 1.194(5) . ? O5 C14 1.310(5) . ? O5 C15 1.504(5) . ? O6 C10 1.324(5) . ? O6 C19 1.489(5) . ? O7 C14 1.206(5) . ? C1 C2 1.384(8) . ? C1 C6 1.414(8) . ? C1 C7 1.501(6) . ? C2 C3 1.388(9) . ? C3 C4 1.386(15) . ? C4 C5 1.398(13) . ? C5 C6 1.368(9) . ? C7 C8 1.543(5) . ? C8 C14 1.534(5) . ? C8 C9 1.551(5) . ? C9 C10 1.527(5) . ? C11 C12 1.499(5) . ? C11 C13 1.501(6) . ? C15 C17 1.476(8) . ? C15 C16B 1.50(2) . ? C15 C18 1.514(10) . ? C15 C16A 1.504(14) . ? C19 C21 1.494(7) . ? C19 C20 1.525(7) . ? C19 C22B 1.52(2) . ? C19 C22A 1.534(11) . ? 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 C8 O1 C11 110.7(3) . . ? C9 O2 C11 105.5(3) . . ? C14 O5 C15 122.4(3) . . ? C10 O6 C19 123.6(3) . . ? C2 C1 C6 119.1(5) . . ? C2 C1 C7 121.3(5) . . ? C6 C1 C7 119.5(4) . . ? C3 C2 C1 120.4(7) . . ? C4 C3 C2 119.5(8) . . ? C3 C4 C5 121.0(6) . . ? C6 C5 C4 118.9(8) . . ? C5 C6 C1 120.9(7) . . ? O3 C7 C1 112.1(4) . . ? O3 C7 C8 107.4(3) . . ? C1 C7 C8 113.5(3) . . ? O1 C8 C14 111.7(3) . . ? O1 C8 C7 108.0(3) . . ? C14 C8 C7 108.0(3) . . ? O1 C8 C9 102.3(3) . . ? C14 C8 C9 111.1(3) . . ? C7 C8 C9 115.7(3) . . ? O2 C9 C10 110.8(3) . . ? O2 C9 C8 102.4(3) . . ? C10 C9 C8 115.0(3) . . ? O4 C10 O6 126.9(4) . . ? O4 C10 C9 125.7(3) . . ? O6 C10 C9 107.4(3) . . ? O1 C11 O2 104.9(3) . . ? O1 C11 C12 109.8(3) . . ? O2 C11 C12 107.8(3) . . ? O1 C11 C13 109.1(3) . . ? O2 C11 C13 111.2(4) . . ? C12 C11 C13 113.6(3) . . ? O7 C14 O5 125.7(4) . . ? O7 C14 C8 122.0(3) . . ? O5 C14 C8 112.2(3) . . ? C17 C15 C16B 128.1(26) . . ? C17 C15 O5 110.7(4) . . ? C16B C15 O5 99.4(20) . . ? C17 C15 C18 111.4(5) . . ? C16B C15 C18 97.5(36) . . ? O5 C15 C18 107.7(4) . . ? C17 C15 C16A 108.4(15) . . ? O5 C15 C16A 102.7(11) . . ? C18 C15 C16A 115.6(17) . . ? O6 C19 C21 110.2(4) . . ? O6 C19 C20 101.8(4) . . ? C21 C19 C20 110.9(4) . . ? O6 C19 C22B 103.3(17) . . ? C21 C19 C22B 129.4(25) . . ? C20 C19 C22B 97.5(26) . . ? O6 C19 C22A 111.3(6) . . ? C21 C19 C22A 107.9(12) . . ? C20 C19 C22A 114.7(10) . . ? 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 C6 C1 C2 C3 -0.1(8) . . . . ? C7 C1 C2 C3 -178.1(5) . . . . ? C1 C2 C3 C4 2.0(11) . . . . ? C2 C3 C4 C5 -2.3(12) . . . . ? C3 C4 C5 C6 0.5(11) . . . . ? C4 C5 C6 C1 1.5(10) . . . . ? C2 C1 C6 C5 -1.7(8) . . . . ? C7 C1 C6 C5 176.4(5) . . . . ? C2 C1 C7 O3 -33.2(6) . . . . ? C6 C1 C7 O3 148.7(4) . . . . ? C2 C1 C7 C8 88.7(5) . . . . ? C6 C1 C7 C8 -89.4(5) . . . . ? C11 O1 C8 C14 -104.4(4) . . . . ? C11 O1 C8 C7 137.0(3) . . . . ? C11 O1 C8 C9 14.5(4) . . . . ? O3 C7 C8 O1 64.8(4) . . . . ? C1 C7 C8 O1 -59.7(4) . . . . ? O3 C7 C8 C14 -56.1(4) . . . . ? C1 C7 C8 C14 179.4(4) . . . . ? O3 C7 C8 C9 178.7(3) . . . . ? C1 C7 C8 C9 54.3(5) . . . . ? C11 O2 C9 C10 161.0(3) . . . . ? C11 O2 C9 C8 37.9(4) . . . . ? O1 C8 C9 O2 -32.1(4) . . . . ? C14 C8 C9 O2 87.2(3) . . . . ? C7 C8 C9 O2 -149.3(3) . . . . ? O1 C8 C9 C10 -152.4(3) . . . . ? C14 C8 C9 C10 -33.1(4) . . . . ? C7 C8 C9 C10 90.5(4) . . . . ? C19 O6 C10 O4 -5.8(7) . . . . ? C19 O6 C10 C9 173.3(3) . . . . ? O2 C9 C10 O4 -15.2(6) . . . . ? C8 C9 C10 O4 100.2(5) . . . . ? O2 C9 C10 O6 165.7(3) . . . . ? C8 C9 C10 O6 -78.8(4) . . . . ? C8 O1 C11 O2 8.0(4) . . . . ? C8 O1 C11 C12 123.6(3) . . . . ? C8 O1 C11 C13 -111.2(3) . . . . ? C9 O2 C11 O1 -29.7(3) . . . . ? C9 O2 C11 C12 -146.6(3) . . . . ? C9 O2 C11 C13 88.2(4) . . . . ? C15 O5 C14 O7 -2.0(7) . . . . ? C15 O5 C14 C8 176.2(4) . . . . ? O1 C8 C14 O7 -166.4(4) . . . . ? C7 C8 C14 O7 -47.8(5) . . . . ? C9 C8 C14 O7 80.1(5) . . . . ? O1 C8 C14 O5 15.3(5) . . . . ? C7 C8 C14 O5 133.9(4) . . . . ? C9 C8 C14 O5 -98.2(4) . . . . ? C14 O5 C15 C17 62.2(6) . . . . ? C14 O5 C15 C16B -160.8(35) . . . . ? C14 O5 C15 C18 -59.7(7) . . . . ? C14 O5 C15 C16A 177.8(17) . . . . ? C10 O6 C19 C21 -60.6(5) . . . . ? C10 O6 C19 C20 -178.3(4) . . . . ? C10 O6 C19 C22B 81.0(29) . . . . ? C10 O6 C19 C22A 59.1(13) . . . . ? _refine_diff_density_max 0.194 _refine_diff_density_min -0.258 _refine_diff_density_rms 0.050