data_p21c _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C20 H25 N O6' _chemical_formula_weight 375.41 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' 'N' 'N' 0.0061 0.0033 '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)/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 7.721(8) _cell_length_b 13.669(14) _cell_length_c 18.145(18) _cell_angle_alpha 90.00 _cell_angle_beta 92.817(10) _cell_angle_gamma 90.00 _cell_volume 1913(3) _cell_formula_units_Z 4 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 922 _cell_measurement_theta_min 2.64 _cell_measurement_theta_max 17.32 _exptl_crystal_description block _exptl_crystal_colour colorless _exptl_crystal_size_max 0.18 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.304 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 800 _exptl_absorpt_coefficient_mu 0.096 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.9829 _exptl_absorpt_correction_T_max 0.9857 _exptl_absorpt_process_details SADABS _exptl_special_details ; ? ; _diffrn_ambient_temperature 296(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 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 8819 _diffrn_reflns_av_R_equivalents 0.0985 _diffrn_reflns_av_sigmaI/netI 0.1592 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 2.64 _diffrn_reflns_theta_max 25.20 _reflns_number_total 3378 _reflns_number_gt 1488 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker APEX2' _computing_cell_refinement 'Bruker SAINT' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _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^)+(0.0220P)^2^+0.0000P] 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 constr _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0036(17) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 3378 _refine_ls_number_parameters 248 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1769 _refine_ls_R_factor_gt 0.0715 _refine_ls_wR_factor_ref 0.1786 _refine_ls_wR_factor_gt 0.1364 _refine_ls_goodness_of_fit_ref 1.004 _refine_ls_restrained_S_all 1.004 _refine_ls_shift/su_max 0.000 _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 1.0013(5) 0.8328(3) 0.2760(2) 0.0408(11) Uani 1 1 d . . . C2 C 1.1136(5) 0.7424(3) 0.2988(3) 0.0444(12) Uani 1 1 d . . . C3 C 1.0630(5) 0.7110(3) 0.3708(3) 0.0493(12) Uani 1 1 d . . . C4 C 0.9632(5) 0.7783(3) 0.4006(2) 0.0430(11) Uani 1 1 d . . . C5 C 0.8716(6) 0.7726(3) 0.4720(2) 0.0568(13) Uani 1 1 d . . . H5A H 0.8613 0.8375 0.4930 0.068 Uiso 1 1 calc R . . H5B H 0.9376 0.7321 0.5071 0.068 Uiso 1 1 calc R . . C6 C 0.6904(6) 0.7285(4) 0.4564(3) 0.0669(15) Uani 1 1 d . . . H6A H 0.6974 0.6581 0.4631 0.080 Uiso 1 1 calc R . . H6B H 0.6129 0.7539 0.4922 0.080 Uiso 1 1 calc R . . C7 C 0.6131(6) 0.7500(3) 0.3788(3) 0.0607(14) Uani 1 1 d . . . H7A H 0.6816 0.7168 0.3430 0.073 Uiso 1 1 calc R . . H7B H 0.4964 0.7238 0.3743 0.073 Uiso 1 1 calc R . . C8 C 0.6071(6) 0.8575(4) 0.3608(2) 0.0529(13) Uani 1 1 d . . . C9 C 0.9375(5) 0.8682(3) 0.3528(2) 0.0384(10) Uani 1 1 d . . . C10 C 1.0433(5) 0.9573(3) 0.3818(2) 0.0448(11) Uani 1 1 d . . . H10A H 1.0444 0.9612 0.4352 0.054 Uiso 1 1 calc R . . H10B H 1.1617 0.9546 0.3664 0.054 Uiso 1 1 calc R . . C11 C 0.9450(5) 1.0435(3) 0.3460(3) 0.0533(12) Uani 1 1 d . . . H11A H 0.9748 1.1044 0.3710 0.064 Uiso 1 1 calc R . . H11B H 0.9694 1.0496 0.2943 0.064 Uiso 1 1 calc R . . C12 C 0.7567(5) 1.0168(3) 0.3553(2) 0.0486(12) Uani 1 1 d . . . H12 H 0.6835 1.0425 0.3141 0.058 Uiso 1 1 calc R . . C13 C 0.6875(6) 1.0501(4) 0.4293(3) 0.0715(17) Uani 1 1 d . . . H13 H 0.6361 1.0029 0.4580 0.086 Uiso 1 1 calc R . . C14 C 0.6948(7) 1.1358(5) 0.4542(3) 0.0893(18) Uani 1 1 d . . . H14A H 0.7452 1.1852 0.4273 0.107 Uiso 1 1 calc R . . H14B H 0.6497 1.1499 0.4996 0.107 Uiso 1 1 calc R . . C15 C 0.8450(6) 0.8114(4) 0.2226(2) 0.0471(12) Uani 1 1 d . . . C16 C 0.6537(6) 0.6869(4) 0.1774(3) 0.0744(16) Uani 1 1 d . . . H16A H 0.5523 0.7164 0.1965 0.112 Uiso 1 1 calc R . . H16B H 0.6419 0.6170 0.1781 0.112 Uiso 1 1 calc R . . H16C H 0.6664 0.7085 0.1276 0.112 Uiso 1 1 calc R . . C17 C 1.1688(6) 0.8907(4) 0.1761(3) 0.0539(13) Uani 1 1 d . . . C18 C 1.3164(6) 0.9600(4) 0.1639(3) 0.0686(15) Uani 1 1 d . . . H18A H 1.2755 1.0266 0.1690 0.082 Uiso 1 1 calc R . . H18B H 1.4072 0.9490 0.2018 0.082 Uiso 1 1 calc R . . C19 C 1.3912(7) 0.9487(4) 0.0899(3) 0.0949(19) Uani 1 1 d . . . H19A H 1.4276 0.8822 0.0836 0.142 Uiso 1 1 calc R . . H19B H 1.4891 0.9915 0.0866 0.142 Uiso 1 1 calc R . . H19C H 1.3049 0.9651 0.0520 0.142 Uiso 1 1 calc R . . C20 C 1.1278(6) 0.6157(3) 0.4035(3) 0.0780(16) Uani 1 1 d . . . H20A H 1.2495 0.6209 0.4163 0.117 Uiso 1 1 calc R . . H20B H 1.1087 0.5642 0.3681 0.117 Uiso 1 1 calc R . . H20C H 1.0664 0.6013 0.4470 0.117 Uiso 1 1 calc R . . N1 N 0.7591(4) 0.9078(3) 0.35340(17) 0.0434(9) Uani 1 1 d . . . O1 O 1.1102(3) 0.9059(2) 0.24497(14) 0.0467(8) Uani 1 1 d . . . O2 O 1.1090(4) 0.8302(3) 0.13400(18) 0.0742(11) Uani 1 1 d . . . O3 O 1.2294(4) 0.7107(2) 0.26317(17) 0.0637(10) Uani 1 1 d . . . O4 O 0.7663(4) 0.8732(3) 0.18905(18) 0.0713(11) Uani 1 1 d . . . O5 O 0.8066(4) 0.7155(2) 0.22305(16) 0.0540(9) Uani 1 1 d . . . O6 O 0.4681(4) 0.9020(3) 0.35642(19) 0.0755(11) 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 0.032(2) 0.049(3) 0.041(3) -0.004(2) -0.001(2) -0.001(2) C2 0.025(2) 0.052(3) 0.055(3) -0.017(2) -0.007(2) -0.003(2) C3 0.034(3) 0.051(3) 0.062(3) 0.000(3) -0.007(2) 0.007(2) C4 0.035(2) 0.051(3) 0.041(3) 0.006(2) -0.007(2) -0.007(2) C5 0.058(3) 0.065(3) 0.046(3) 0.013(2) -0.002(3) 0.002(3) C6 0.064(3) 0.075(4) 0.062(4) 0.009(3) 0.011(3) -0.010(3) C7 0.042(3) 0.072(4) 0.069(4) 0.002(3) 0.014(3) -0.015(3) C8 0.039(3) 0.074(4) 0.046(3) -0.009(3) 0.003(2) 0.002(3) C9 0.033(2) 0.042(3) 0.040(3) -0.003(2) -0.002(2) 0.006(2) C10 0.040(3) 0.054(3) 0.040(3) -0.008(2) -0.002(2) -0.002(2) C11 0.053(3) 0.048(3) 0.059(3) -0.005(3) 0.010(2) 0.003(3) C12 0.047(3) 0.047(3) 0.052(3) 0.000(2) 0.008(2) 0.013(2) C13 0.056(3) 0.055(3) 0.104(4) -0.026(3) 0.005(3) 0.015(3) C14 0.068(4) 0.105(5) 0.096(5) 0.000(4) 0.012(3) 0.020(4) C15 0.047(3) 0.055(4) 0.039(3) -0.008(3) 0.002(2) 0.001(3) C16 0.045(3) 0.101(5) 0.075(4) -0.013(3) -0.015(3) -0.020(3) C17 0.061(3) 0.053(3) 0.049(3) -0.007(3) 0.011(3) 0.000(3) C18 0.070(3) 0.079(4) 0.058(3) 0.002(3) 0.020(3) -0.009(3) C19 0.081(4) 0.121(5) 0.084(4) 0.004(4) 0.025(3) -0.013(4) C20 0.067(3) 0.063(4) 0.103(4) 0.017(3) -0.012(3) 0.019(3) N1 0.032(2) 0.054(2) 0.045(2) 0.0024(19) 0.0045(17) 0.0036(19) O1 0.0473(17) 0.0522(19) 0.0417(18) -0.0041(15) 0.0128(15) -0.0066(15) O2 0.083(3) 0.086(3) 0.055(2) -0.027(2) 0.0115(19) -0.016(2) O3 0.0421(19) 0.073(2) 0.076(2) -0.0262(19) 0.0033(18) 0.0078(17) O4 0.067(2) 0.077(3) 0.067(2) 0.010(2) -0.0211(19) 0.011(2) O5 0.0435(19) 0.063(2) 0.054(2) -0.0088(17) -0.0128(16) -0.0108(17) O6 0.0368(19) 0.099(3) 0.090(3) -0.001(2) 0.0021(18) 0.0105(19) _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 O1 1.439(4) . ? C1 C15 1.539(6) . ? C1 C2 1.553(6) . ? C1 C9 1.576(5) . ? C2 O3 1.209(4) . ? C2 C3 1.448(6) . ? C3 C4 1.332(5) . ? C3 C20 1.506(6) . ? C4 C5 1.509(5) . ? C4 C9 1.511(5) . ? C5 C6 1.537(6) . ? C5 H5A 0.9700 . ? C5 H5B 0.9700 . ? C6 C7 1.531(6) . ? C6 H6A 0.9700 . ? C6 H6B 0.9700 . ? C7 C8 1.505(6) . ? C7 H7A 0.9700 . ? C7 H7B 0.9700 . ? C8 O6 1.233(5) . ? C8 N1 1.372(5) . ? C9 N1 1.480(5) . ? C9 C10 1.545(5) . ? C10 C11 1.530(5) . ? C10 H10A 0.9700 . ? C10 H10B 0.9700 . ? C11 C12 1.517(5) . ? C11 H11A 0.9700 . ? C11 H11B 0.9700 . ? C12 N1 1.491(5) . ? C12 C13 1.538(6) . ? C12 H12 0.9800 . ? C13 C14 1.256(6) . ? C13 H13 0.9300 . ? C14 H14A 0.9300 . ? C14 H14B 0.9300 . ? C15 O4 1.191(5) . ? C15 O5 1.344(5) . ? C16 O5 1.461(5) . ? C16 H16A 0.9600 . ? C16 H16B 0.9600 . ? C16 H16C 0.9600 . ? C17 O2 1.202(5) . ? C17 O1 1.366(5) . ? C17 C18 1.506(6) . ? C18 C19 1.495(6) . ? C18 H18A 0.9700 . ? C18 H18B 0.9700 . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C20 H20A 0.9600 . ? C20 H20B 0.9600 . ? C20 H20C 0.9600 . ? 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 O1 C1 C15 109.9(3) . . ? O1 C1 C2 109.1(3) . . ? C15 C1 C2 115.2(4) . . ? O1 C1 C9 110.3(3) . . ? C15 C1 C9 110.2(3) . . ? C2 C1 C9 101.8(3) . . ? O3 C2 C3 128.0(4) . . ? O3 C2 C1 124.1(4) . . ? C3 C2 C1 107.7(4) . . ? C4 C3 C2 110.4(4) . . ? C4 C3 C20 128.7(4) . . ? C2 C3 C20 120.9(4) . . ? C3 C4 C5 128.2(4) . . ? C3 C4 C9 113.1(4) . . ? C5 C4 C9 118.7(4) . . ? C4 C5 C6 108.8(4) . . ? C4 C5 H5A 109.9 . . ? C6 C5 H5A 109.9 . . ? C4 C5 H5B 109.9 . . ? C6 C5 H5B 109.9 . . ? H5A C5 H5B 108.3 . . ? C7 C6 C5 113.8(4) . . ? C7 C6 H6A 108.8 . . ? C5 C6 H6A 108.8 . . ? C7 C6 H6B 108.8 . . ? C5 C6 H6B 108.8 . . ? H6A C6 H6B 107.7 . . ? C8 C7 C6 113.2(4) . . ? C8 C7 H7A 108.9 . . ? C6 C7 H7A 108.9 . . ? C8 C7 H7B 108.9 . . ? C6 C7 H7B 108.9 . . ? H7A C7 H7B 107.8 . . ? O6 C8 N1 119.5(5) . . ? O6 C8 C7 120.9(4) . . ? N1 C8 C7 119.5(4) . . ? N1 C9 C4 112.9(3) . . ? N1 C9 C10 100.7(3) . . ? C4 C9 C10 113.2(3) . . ? N1 C9 C1 116.7(3) . . ? C4 C9 C1 102.6(3) . . ? C10 C9 C1 111.1(3) . . ? C11 C10 C9 102.7(3) . . ? C11 C10 H10A 111.2 . . ? C9 C10 H10A 111.2 . . ? C11 C10 H10B 111.2 . . ? C9 C10 H10B 111.2 . . ? H10A C10 H10B 109.1 . . ? C12 C11 C10 103.0(3) . . ? C12 C11 H11A 111.2 . . ? C10 C11 H11A 111.2 . . ? C12 C11 H11B 111.2 . . ? C10 C11 H11B 111.2 . . ? H11A C11 H11B 109.1 . . ? N1 C12 C11 103.0(3) . . ? N1 C12 C13 108.8(4) . . ? C11 C12 C13 113.7(4) . . ? N1 C12 H12 110.4 . . ? C11 C12 H12 110.4 . . ? C13 C12 H12 110.4 . . ? C14 C13 C12 125.4(5) . . ? C14 C13 H13 117.3 . . ? C12 C13 H13 117.3 . . ? C13 C14 H14A 120.0 . . ? C13 C14 H14B 120.0 . . ? H14A C14 H14B 120.0 . . ? O4 C15 O5 126.0(5) . . ? O4 C15 C1 123.5(4) . . ? O5 C15 C1 110.4(4) . . ? O5 C16 H16A 109.5 . . ? O5 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? O5 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? O2 C17 O1 123.4(4) . . ? O2 C17 C18 127.5(4) . . ? O1 C17 C18 109.0(4) . . ? C19 C18 C17 113.3(4) . . ? C19 C18 H18A 108.9 . . ? C17 C18 H18A 108.9 . . ? C19 C18 H18B 108.9 . . ? C17 C18 H18B 108.9 . . ? H18A C18 H18B 107.7 . . ? C18 C19 H19A 109.5 . . ? C18 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? C18 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C3 C20 H20A 109.5 . . ? C3 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? C3 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C8 N1 C9 128.2(4) . . ? C8 N1 C12 119.1(3) . . ? C9 N1 C12 112.2(3) . . ? C17 O1 C1 118.7(3) . . ? C15 O5 C16 115.5(4) . . ? 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 O1 C1 C2 O3 -39.2(5) . . . . ? C15 C1 C2 O3 84.9(5) . . . . ? C9 C1 C2 O3 -155.8(4) . . . . ? O1 C1 C2 C3 136.2(3) . . . . ? C15 C1 C2 C3 -99.7(4) . . . . ? C9 C1 C2 C3 19.6(4) . . . . ? O3 C2 C3 C4 163.4(4) . . . . ? C1 C2 C3 C4 -11.8(5) . . . . ? O3 C2 C3 C20 -14.3(7) . . . . ? C1 C2 C3 C20 170.5(4) . . . . ? C2 C3 C4 C5 175.1(4) . . . . ? C20 C3 C4 C5 -7.3(8) . . . . ? C2 C3 C4 C9 -2.2(5) . . . . ? C20 C3 C4 C9 175.4(4) . . . . ? C3 C4 C5 C6 -89.5(6) . . . . ? C9 C4 C5 C6 87.6(5) . . . . ? C4 C5 C6 C7 -29.6(6) . . . . ? C5 C6 C7 C8 -54.8(5) . . . . ? C6 C7 C8 O6 -108.6(5) . . . . ? C6 C7 C8 N1 67.7(5) . . . . ? C3 C4 C9 N1 141.2(4) . . . . ? C5 C4 C9 N1 -36.4(5) . . . . ? C3 C4 C9 C10 -105.2(4) . . . . ? C5 C4 C9 C10 77.2(4) . . . . ? C3 C4 C9 C1 14.6(5) . . . . ? C5 C4 C9 C1 -163.0(3) . . . . ? O1 C1 C9 N1 100.6(4) . . . . ? C15 C1 C9 N1 -20.9(5) . . . . ? C2 C1 C9 N1 -143.7(3) . . . . ? O1 C1 C9 C4 -135.3(3) . . . . ? C15 C1 C9 C4 103.1(4) . . . . ? C2 C1 C9 C4 -19.6(4) . . . . ? O1 C1 C9 C10 -14.1(4) . . . . ? C15 C1 C9 C10 -135.6(4) . . . . ? C2 C1 C9 C10 101.6(4) . . . . ? N1 C9 C10 C11 -37.4(4) . . . . ? C4 C9 C10 C11 -158.1(3) . . . . ? C1 C9 C10 C11 87.0(4) . . . . ? C9 C10 C11 C12 43.0(4) . . . . ? C10 C11 C12 N1 -30.5(4) . . . . ? C10 C11 C12 C13 87.0(4) . . . . ? N1 C12 C13 C14 167.7(5) . . . . ? C11 C12 C13 C14 53.6(7) . . . . ? O1 C1 C15 O4 -41.4(5) . . . . ? C2 C1 C15 O4 -165.2(4) . . . . ? C9 C1 C15 O4 80.3(5) . . . . ? O1 C1 C15 O5 142.0(3) . . . . ? C2 C1 C15 O5 18.3(4) . . . . ? C9 C1 C15 O5 -96.2(4) . . . . ? O2 C17 C18 C19 0.2(8) . . . . ? O1 C17 C18 C19 179.5(4) . . . . ? O6 C8 N1 C9 -176.4(4) . . . . ? C7 C8 N1 C9 7.2(6) . . . . ? O6 C8 N1 C12 12.2(6) . . . . ? C7 C8 N1 C12 -164.1(4) . . . . ? C4 C9 N1 C8 -31.8(6) . . . . ? C10 C9 N1 C8 -152.8(4) . . . . ? C1 C9 N1 C8 86.8(5) . . . . ? C4 C9 N1 C12 140.0(3) . . . . ? C10 C9 N1 C12 19.1(4) . . . . ? C1 C9 N1 C12 -101.3(4) . . . . ? C11 C12 N1 C8 179.7(4) . . . . ? C13 C12 N1 C8 58.7(5) . . . . ? C11 C12 N1 C9 7.0(4) . . . . ? C13 C12 N1 C9 -114.0(4) . . . . ? O2 C17 O1 C1 15.1(6) . . . . ? C18 C17 O1 C1 -164.3(3) . . . . ? C15 C1 O1 C17 -54.1(5) . . . . ? C2 C1 O1 C17 73.2(4) . . . . ? C9 C1 O1 C17 -175.8(3) . . . . ? O4 C15 O5 C16 0.2(6) . . . . ? C1 C15 O5 C16 176.6(3) . . . . ? _diffrn_measured_fraction_theta_max 0.983 _diffrn_reflns_theta_full 25.20 _diffrn_measured_fraction_theta_full 0.983 _refine_diff_density_max 0.230 _refine_diff_density_min -0.175 _refine_diff_density_rms 0.046