# Copyright The Royal Society of Chemistry, 1999
# CCDC Number: 207/326 
data_sl9704 
 
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C19 H24 O6' 
_chemical_formula_weight          348.38 
_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            Triclinic 
_symmetry_space_group_name_H-M    P-1 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    9.7660(10) 
_cell_length_b                    11.5680(10) 
_cell_length_c                    9.3670(10) 
_cell_angle_alpha                 112.210(10) 
_cell_angle_beta                  117.65(2) 
_cell_angle_gamma                 75.36(2) 
_cell_volume                      863.95(15) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     150(2) 
_cell_measurement_reflns_used     25 
_cell_measurement_theta_min       25 
_cell_measurement_theta_max       30 
 
_exptl_crystal_description        white 
_exptl_crystal_colour             block 
_exptl_crystal_size_max           0.50 
_exptl_crystal_size_mid           0.40 
_exptl_crystal_size_min           0.30 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.339 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              372 
_exptl_absorpt_coefficient_mu     0.099 
_exptl_absorpt_correction_type    none 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       150(2) 
_diffrn_radiation_wavelength      0.71069 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'rotating anode' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device        'R-AXIS IIc' 
_diffrn_measurement_method        ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             7486 
_diffrn_reflns_av_R_equivalents   0.0601 
_diffrn_reflns_av_sigmaI/netI     0.0473 
_diffrn_reflns_limit_h_min        -11 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -13 
_diffrn_reflns_limit_k_max        13 
_diffrn_reflns_limit_l_min        -11 
_diffrn_reflns_limit_l_max        11 
_diffrn_reflns_theta_min          1.91 
_diffrn_reflns_theta_max          25.28 
_reflns_number_total              2850 
_reflns_number_observed           2666 
_reflns_observed_criterion        >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 7 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^)+(0.0521P)^2^+0.2329P] 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     refU 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.3050(175) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' 
_refine_ls_number_reflns          2843 
_refine_ls_number_parameters      228 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0582 
_refine_ls_R_factor_obs           0.0527 
_refine_ls_wR_factor_all          0.1252 
_refine_ls_wR_factor_obs          0.1204 
_refine_ls_goodness_of_fit_all    1.203 
_refine_ls_goodness_of_fit_obs    1.216 
_refine_ls_restrained_S_all       1.221 
_refine_ls_restrained_S_obs       1.216 
_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 0.00965(14) 0.09467(12) 0.7774(2) 0.0260(3) Uani 1 d . . 
O2 O -0.12388(14) 0.39552(11) 0.9832(2) 0.0258(3) Uani 1 d . . 
O3 O 0.00915(14) 0.28479(12) 0.7471(2) 0.0276(3) Uani 1 d . . 
O4 O -0.26372(13) 0.24470(12) 0.73773(15) 0.0238(3) Uani 1 d . . 
O5 O -0.1199(2) 0.37206(14) 0.5456(2) 0.0372(4) Uani 1 d . . 
O6 O -0.4246(2) 0.33379(14) 0.3546(2) 0.0359(4) Uani 1 d . . 
H6 H -0.3416(2) 0.34418(14) 0.3567(2) 0.043 Uiso 1 calc R . 
C1 C 0.0153(2) 0.2228(2) 0.8618(2) 0.0228(4) Uani 1 d . . 
C2 C 0.1407(2) 0.0322(2) 0.7359(2) 0.0310(4) Uani 1 d . . 
H2A H 0.1391(2) 0.0620(2) 0.6490(2) 0.037 Uiso 1 calc R . 
H2B H 0.1311(2) -0.0592(2) 0.6872(2) 0.037 Uiso 1 calc R . 
C3 C 0.2935(2) 0.0560(2) 0.8888(3) 0.0335(5) Uani 1 d . . 
H3A H 0.3803(2) 0.0165(2) 0.8542(3) 0.040 Uiso 1 calc R . 
H3B H 0.3006(2) 0.0182(2) 0.9711(3) 0.040 Uiso 1 calc R . 
C4 C 0.3059(2) 0.1960(2) 0.9706(2) 0.0311(5) Uani 1 d . . 
H4A H 0.3074(2) 0.2328(2) 0.8917(2) 0.037 Uiso 1 calc R . 
H4B H 0.4035(2) 0.2117(2) 1.0743(2) 0.037 Uiso 1 calc R . 
C5 C 0.1666(2) 0.2565(2) 1.0151(2) 0.0273(4) Uani 1 d . . 
H5A H 0.1736(2) 0.2278(2) 1.1056(2) 0.033 Uiso 1 calc R . 
H5B H 0.1686(2) 0.3488(2) 1.0585(2) 0.033 Uiso 1 calc R . 
C6 C -0.1316(2) 0.2667(2) 0.8965(2) 0.0231(4) Uani 1 d . . 
C7 C -0.1479(2) 0.1934(2) 0.9922(2) 0.0266(4) Uani 1 d . . 
H7A H -0.0514(2) 0.1935(2) 1.0958(2) 0.032 Uiso 1 calc R . 
H7B H -0.1640(2) 0.1053(2) 0.9205(2) 0.032 Uiso 1 calc R . 
C8 C -0.2851(2) 0.2524(2) 1.0402(3) 0.0321(5) Uani 1 d . . 
H8A H -0.3832(2) 0.2424(2) 0.9367(3) 0.039 Uiso 1 calc R . 
H8B H -0.2889(2) 0.2096(2) 1.1118(3) 0.039 Uiso 1 calc R . 
C9 C -0.2679(3) 0.3906(2) 1.1358(3) 0.0349(5) Uani 1 d . . 
H9A H -0.3602(3) 0.4302(2) 1.1603(3) 0.042 Uiso 1 calc R . 
H9B H -0.1754(3) 0.4002(2) 1.2448(3) 0.042 Uiso 1 calc R . 
C10 C -0.2508(2) 0.4553(2) 1.0319(3) 0.0308(4) Uani 1 d . . 
H10A H -0.3484(2) 0.4538(2) 0.9290(3) 0.037 Uiso 1 calc R . 
H10B H -0.2330(2) 0.5441(2) 1.0987(3) 0.037 Uiso 1 calc R . 
C11 C -0.1242(2) 0.3264(2) 0.6403(2) 0.0259(4) Uani 1 d . . 
C12 C -0.2770(2) 0.3172(2) 0.6387(2) 0.0229(4) Uani 1 d . . 
H12 H -0.3224(2) 0.4038(2) 0.6820(2) 0.027 Uiso 1 calc R . 
C13 C -0.3915(2) 0.2565(2) 0.4563(2) 0.0259(4) Uani 1 d . . 
H13 H -0.3429(2) 0.1728(2) 0.4087(2) 0.031 Uiso 1 calc R . 
C14 C -0.5423(2) 0.2393(2) 0.4506(2) 0.0243(4) Uani 1 d . . 
C15 C -0.5832(2) 0.1204(2) 0.4073(2) 0.0288(4) Uani 1 d . . 
H15 H -0.5165(2) 0.0488(2) 0.3792(2) 0.035 Uiso 1 calc R . 
C16 C -0.7209(2) 0.1050(2) 0.4048(2) 0.0335(5) Uani 1 d . . 
H16 H -0.7477(2) 0.0232(2) 0.3761(2) 0.040 Uiso 1 calc R . 
C17 C -0.8185(2) 0.2088(2) 0.4442(2) 0.0330(5) Uani 1 d . . 
H17 H -0.9123(2) 0.1986(2) 0.4436(2) 0.040 Uiso 1 calc R . 
C18 C -0.7803(2) 0.3274(2) 0.4845(2) 0.0338(5) Uani 1 d . . 
H18 H -0.8487(2) 0.3987(2) 0.5097(2) 0.041 Uiso 1 calc R . 
C19 C -0.6425(2) 0.3431(2) 0.4883(2) 0.0299(4) Uani 1 d . . 
H19 H -0.6164(2) 0.4251(2) 0.5167(2) 0.036 Uiso 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 
O1 0.0229(7) 0.0260(7) 0.0275(6) 0.0045(5) 0.0115(5) -0.0030(5) 
O2 0.0285(7) 0.0251(7) 0.0279(7) 0.0076(5) 0.0152(5) -0.0027(5) 
O3 0.0226(7) 0.0375(8) 0.0302(7) 0.0172(6) 0.0126(5) -0.0009(5) 
O4 0.0221(7) 0.0303(7) 0.0226(6) 0.0112(5) 0.0085(5) -0.0049(5) 
O5 0.0301(8) 0.0537(9) 0.0442(8) 0.0311(7) 0.0171(6) -0.0015(6) 
O6 0.0367(8) 0.0534(9) 0.0258(7) 0.0188(6) 0.0094(6) -0.0138(6) 
C1 0.0244(9) 0.0258(10) 0.0211(8) 0.0094(7) 0.0097(7) -0.0027(7) 
C2 0.0252(10) 0.0315(10) 0.0328(10) 0.0049(8) 0.0145(8) 0.0002(8) 
C3 0.0248(10) 0.0357(11) 0.0352(10) 0.0104(9) 0.0111(8) 0.0015(8) 
C4 0.0218(9) 0.0392(11) 0.0283(10) 0.0103(8) 0.0059(8) -0.0052(8) 
C5 0.0255(10) 0.0302(10) 0.0241(9) 0.0060(7) 0.0088(8) -0.0054(7) 
C6 0.0240(9) 0.0251(10) 0.0201(8) 0.0076(7) 0.0078(7) -0.0035(7) 
C7 0.0303(10) 0.0277(10) 0.0269(9) 0.0116(8) 0.0135(8) -0.0022(8) 
C8 0.0372(11) 0.0361(11) 0.0363(10) 0.0176(9) 0.0221(9) -0.0003(9) 
C9 0.0442(12) 0.0364(11) 0.0349(10) 0.0124(9) 0.0269(9) 0.0022(9) 
C10 0.0359(11) 0.0293(10) 0.0332(10) 0.0100(8) 0.0219(9) 0.0032(8) 
C11 0.0252(10) 0.0287(10) 0.0269(9) 0.0101(8) 0.0120(8) -0.0022(7) 
C12 0.0238(9) 0.0273(10) 0.0229(9) 0.0113(7) 0.0114(7) -0.0016(7) 
C13 0.0280(10) 0.0305(10) 0.0208(9) 0.0071(7) 0.0115(7) -0.0037(7) 
C14 0.0257(9) 0.0287(10) 0.0177(8) 0.0073(7) 0.0065(7) -0.0057(7) 
C15 0.0307(10) 0.0269(10) 0.0280(9) 0.0082(8) 0.0121(8) -0.0016(8) 
C16 0.0368(11) 0.0340(11) 0.0318(10) 0.0105(8) 0.0115(9) -0.0114(9) 
C17 0.0255(10) 0.0456(12) 0.0304(10) 0.0122(9) 0.0097(8) -0.0101(8) 
C18 0.0277(10) 0.0367(11) 0.0339(10) 0.0085(9) 0.0137(8) 0.0003(8) 
C19 0.0300(10) 0.0282(10) 0.0305(10) 0.0073(8) 0.0117(8) -0.0050(8) 
 
_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 C1 1.392(2) . ? 
O1 C2 1.446(2) . ? 
O2 C6 1.404(2) . ? 
O2 C10 1.441(2) . ? 
O3 C11 1.329(2) . ? 
O3 C1 1.475(2) . ? 
O4 C12 1.415(2) . ? 
O4 C6 1.428(2) . ? 
O5 C11 1.212(2) . ? 
O6 C13 1.422(2) . ? 
O6 H6 0.84 . ? 
C1 C5 1.516(2) . ? 
C1 C6 1.536(2) . ? 
C2 C3 1.510(3) . ? 
C2 H2A 0.99 . ? 
C2 H2B 0.99 . ? 
C3 C4 1.516(3) . ? 
C3 H3A 0.99 . ? 
C3 H3B 0.99 . ? 
C4 C5 1.529(3) . ? 
C4 H4A 0.99 . ? 
C4 H4B 0.99 . ? 
C5 H5A 0.99 . ? 
C5 H5B 0.99 . ? 
C6 C7 1.525(2) . ? 
C7 C8 1.526(3) . ? 
C7 H7A 0.99 . ? 
C7 H7B 0.99 . ? 
C8 C9 1.517(3) . ? 
C8 H8A 0.99 . ? 
C8 H8B 0.99 . ? 
C9 C10 1.516(3) . ? 
C9 H9A 0.99 . ? 
C9 H9B 0.99 . ? 
C10 H10A 0.99 . ? 
C10 H10B 0.99 . ? 
C11 C12 1.515(2) . ? 
C12 C13 1.543(2) . ? 
C12 H12 1.00 . ? 
C13 C14 1.509(2) . ? 
C13 H13 1.00 . ? 
C14 C15 1.386(3) . ? 
C14 C19 1.390(3) . ? 
C15 C16 1.389(3) . ? 
C15 H15 0.95 . ? 
C16 C17 1.378(3) . ? 
C16 H16 0.95 . ? 
C17 C18 1.379(3) . ? 
C17 H17 0.95 . ? 
C18 C19 1.385(3) . ? 
C18 H18 0.95 . ? 
C19 H19 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 
C1 O1 C2 115.45(14) . . ? 
C6 O2 C10 114.42(14) . . ? 
C11 O3 C1 122.17(13) . . ? 
C12 O4 C6 113.48(13) . . ? 
C13 O6 H6 109.47(9) . . ? 
O1 C1 O3 107.99(13) . . ? 
O1 C1 C5 113.88(15) . . ? 
O3 C1 C5 104.06(13) . . ? 
O1 C1 C6 105.88(13) . . ? 
O3 C1 C6 109.46(13) . . ? 
C5 C1 C6 115.36(14) . . ? 
O1 C2 C3 112.1(2) . . ? 
O1 C2 H2A 109.19(10) . . ? 
C3 C2 H2A 109.19(11) . . ? 
O1 C2 H2B 109.19(9) . . ? 
C3 C2 H2B 109.19(11) . . ? 
H2A C2 H2B 107.9 . . ? 
C2 C3 C4 109.8(2) . . ? 
C2 C3 H3A 109.70(10) . . ? 
C4 C3 H3A 109.70(11) . . ? 
C2 C3 H3B 109.70(11) . . ? 
C4 C3 H3B 109.70(11) . . ? 
H3A C3 H3B 108.2 . . ? 
C3 C4 C5 109.1(2) . . ? 
C3 C4 H4A 109.87(11) . . ? 
C5 C4 H4A 109.87(10) . . ? 
C3 C4 H4B 109.87(10) . . ? 
C5 C4 H4B 109.87(9) . . ? 
H4A C4 H4B 108.3 . . ? 
C1 C5 C4 111.02(14) . . ? 
C1 C5 H5A 109.43(9) . . ? 
C4 C5 H5A 109.43(10) . . ? 
C1 C5 H5B 109.43(10) . . ? 
C4 C5 H5B 109.43(10) . . ? 
H5A C5 H5B 108.0 . . ? 
O2 C6 O4 111.06(14) . . ? 
O2 C6 C7 113.08(14) . . ? 
O4 C6 C7 105.69(14) . . ? 
O2 C6 C1 105.40(13) . . ? 
O4 C6 C1 108.24(13) . . ? 
C7 C6 C1 113.37(14) . . ? 
C6 C7 C8 110.13(15) . . ? 
C6 C7 H7A 109.63(9) . . ? 
C8 C7 H7A 109.63(10) . . ? 
C6 C7 H7B 109.63(10) . . ? 
C8 C7 H7B 109.63(10) . . ? 
H7A C7 H7B 108.1 . . ? 
C9 C8 C7 109.6(2) . . ? 
C9 C8 H8A 109.76(12) . . ? 
C7 C8 H8A 109.76(10) . . ? 
C9 C8 H8B 109.76(10) . . ? 
C7 C8 H8B 109.76(9) . . ? 
H8A C8 H8B 108.2 . . ? 
C10 C9 C8 110.2(2) . . ? 
C10 C9 H9A 109.61(11) . . ? 
C8 C9 H9A 109.61(11) . . ? 
C10 C9 H9B 109.61(12) . . ? 
C8 C9 H9B 109.62(12) . . ? 
H9A C9 H9B 108.1 . . ? 
O2 C10 C9 111.7(2) . . ? 
O2 C10 H10A 109.28(9) . . ? 
C9 C10 H10A 109.28(12) . . ? 
O2 C10 H10B 109.28(9) . . ? 
C9 C10 H10B 109.28(11) . . ? 
H10A C10 H10B 107.9 . . ? 
O5 C11 O3 118.2(2) . . ? 
O5 C11 C12 121.3(2) . . ? 
O3 C11 C12 120.50(15) . . ? 
O4 C12 C11 113.95(14) . . ? 
O4 C12 C13 106.98(14) . . ? 
C11 C12 C13 110.04(14) . . ? 
O4 C12 H12 108.58(9) . . ? 
C11 C12 H12 108.58(10) . . ? 
C13 C12 H12 108.58(10) . . ? 
O6 C13 C14 108.47(15) . . ? 
O6 C13 C12 109.69(15) . . ? 
C14 C13 C12 111.64(14) . . ? 
O6 C13 H13 109.00(9) . . ? 
C14 C13 H13 109.00(10) . . ? 
C12 C13 H13 109.00(10) . . ? 
C15 C14 C19 119.1(2) . . ? 
C15 C14 C13 120.8(2) . . ? 
C19 C14 C13 120.1(2) . . ? 
C14 C15 C16 120.6(2) . . ? 
C14 C15 H15 119.68(11) . . ? 
C16 C15 H15 119.68(12) . . ? 
C17 C16 C15 119.7(2) . . ? 
C17 C16 H16 120.16(12) . . ? 
C15 C16 H16 120.16(12) . . ? 
C16 C17 C18 120.2(2) . . ? 
C16 C17 H17 119.90(12) . . ? 
C18 C17 H17 119.90(12) . . ? 
C17 C18 C19 120.2(2) . . ? 
C17 C18 H18 119.89(11) . . ? 
C19 C18 H18 119.88(12) . . ? 
C18 C19 C14 120.2(2) . . ? 
C18 C19 H19 119.92(12) . . ? 
C14 C19 H19 119.92(11) . . ? 
 
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 O1 C1 O3 64.5(2) . . . . ? 
 C2 O1 C1 C5 -50.5(2) . . . . ? 
 C2 O1 C1 C6 -178.29(13) . . . . ? 
 C11 O3 C1 O1 89.4(2) . . . . ? 
 C11 O3 C1 C5 -149.2(2) . . . . ? 
 C11 O3 C1 C6 -25.4(2) . . . . ? 
 C1 O1 C2 C3 53.1(2) . . . . ? 
 O1 C2 C3 C4 -55.7(2) . . . . ? 
 C2 C3 C4 C5 56.5(2) . . . . ? 
 O1 C1 C5 C4 50.8(2) . . . . ? 
 O3 C1 C5 C4 -66.5(2) . . . . ? 
 C6 C1 C5 C4 173.56(14) . . . . ? 
 C3 C4 C5 C1 -53.7(2) . . . . ? 
 C10 O2 C6 O4 64.4(2) . . . . ? 
 C10 O2 C6 C7 -54.2(2) . . . . ? 
 C10 O2 C6 C1 -178.62(13) . . . . ? 
 C12 O4 C6 O2 50.4(2) . . . . ? 
 C12 O4 C6 C7 173.36(13) . . . . ? 
 C12 O4 C6 C1 -64.9(2) . . . . ? 
 O1 C1 C6 O2 179.36(12) . . . . ? 
 O3 C1 C6 O2 -64.5(2) . . . . ? 
 C5 C1 C6 O2 52.4(2) . . . . ? 
 O1 C1 C6 O4 -61.7(2) . . . . ? 
 O3 C1 C6 O4 54.4(2) . . . . ? 
 C5 C1 C6 O4 171.34(14) . . . . ? 
 O1 C1 C6 C7 55.2(2) . . . . ? 
 O3 C1 C6 C7 171.34(14) . . . . ? 
 C5 C1 C6 C7 -71.7(2) . . . . ? 
 O2 C6 C7 C8 53.3(2) . . . . ? 
 O4 C6 C7 C8 -68.4(2) . . . . ? 
 C1 C6 C7 C8 173.21(14) . . . . ? 
 C6 C7 C8 C9 -53.9(2) . . . . ? 
 C7 C8 C9 C10 55.6(2) . . . . ? 
 C6 O2 C10 C9 55.2(2) . . . . ? 
 C8 C9 C10 O2 -55.4(2) . . . . ? 
 C1 O3 C11 O5 -177.2(2) . . . . ? 
 C1 O3 C11 C12 3.1(2) . . . . ? 
 C6 O4 C12 C11 41.6(2) . . . . ? 
 C6 O4 C12 C13 163.49(14) . . . . ? 
 O5 C11 C12 O4 170.8(2) . . . . ? 
 O3 C11 C12 O4 -9.5(2) . . . . ? 
 O5 C11 C12 C13 50.7(2) . . . . ? 
 O3 C11 C12 C13 -129.7(2) . . . . ? 
 O4 C12 C13 O6 172.90(13) . . . . ? 
 C11 C12 C13 O6 -62.8(2) . . . . ? 
 O4 C12 C13 C14 52.6(2) . . . . ? 
 C11 C12 C13 C14 176.91(15) . . . . ? 
 O6 C13 C14 C15 127.1(2) . . . . ? 
 C12 C13 C14 C15 -111.9(2) . . . . ? 
 O6 C13 C14 C19 -52.7(2) . . . . ? 
 C12 C13 C14 C19 68.3(2) . . . . ? 
 C19 C14 C15 C16 -1.2(3) . . . . ? 
 C13 C14 C15 C16 179.0(2) . . . . ? 
 C14 C15 C16 C17 0.6(3) . . . . ? 
 C15 C16 C17 C18 0.6(3) . . . . ? 
 C16 C17 C18 C19 -1.0(3) . . . . ? 
 C17 C18 C19 C14 0.4(3) . . . . ? 
 C15 C14 C19 C18 0.8(3) . . . . ? 
 C13 C14 C19 C18 -179.4(2) . . . . ? 
 
_refine_diff_density_max    0.226 
_refine_diff_density_min   -0.299 
_refine_diff_density_rms    0.062