data_d08018 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C30 H41 N3 O8' _chemical_formula_weight 571.66 _chemical_absolute_configuration ad loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0181 0.0091 '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' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M P2(1)2(1)2(1) loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' _cell_length_a 9.6826(2) _cell_length_b 16.0482(4) _cell_length_c 19.6919(5) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 3059.89(13) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 9503 _cell_measurement_theta_min 2.75 _cell_measurement_theta_max 68.41 _exptl_crystal_description needle _exptl_crystal_colour colourless _exptl_crystal_size_max 0.48 _exptl_crystal_size_mid 0.13 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.241 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1224 _exptl_absorpt_coefficient_mu 0.742 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.7172 _exptl_absorpt_correction_T_max 0.9295 _exptl_absorpt_process_details 'SADABS (Sheldrick, 2008)' _exptl_special_details ; 'Bruker three-circle diffractometer, Bruker APEX CCD' ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 1.54178 _diffrn_radiation_type CuK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker Smart APEX CCD' _diffrn_measurement_method 'omega and phi scans' _diffrn_detector_area_resol_mean 8.3 _diffrn_reflns_number 58230 _diffrn_reflns_av_R_equivalents 0.0200 _diffrn_reflns_av_sigmaI/netI 0.0085 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_theta_min 3.55 _diffrn_reflns_theta_max 68.20 _reflns_number_total 5609 _reflns_number_gt 5552 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'APEX2 2.2 (Bruker-AXS, 2008)' _computing_cell_refinement 'SAINT 7.4 (Bruker-AXS, 2008)' _computing_data_reduction 'SAINT 7.4 (Bruker-AXS, 2008)' _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^)+(0.0388P)^2^+0.5694P] 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 none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.07(10) _refine_ls_number_reflns 5609 _refine_ls_number_parameters 377 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0267 _refine_ls_R_factor_gt 0.0264 _refine_ls_wR_factor_ref 0.0690 _refine_ls_wR_factor_gt 0.0687 _refine_ls_goodness_of_fit_ref 1.059 _refine_ls_restrained_S_all 1.059 _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 O1 O 0.20254(12) -0.10456(6) 0.94306(7) 0.0485(3) Uani 1 1 d . . . O2 O 0.03910(12) -0.08329(6) 1.01636(6) 0.0423(2) Uani 1 1 d . . . O3 O 0.04811(8) 0.26344(5) 0.87207(4) 0.02218(17) Uani 1 1 d . . . O4 O 0.14851(9) 0.28108(5) 1.05996(4) 0.02634(18) Uani 1 1 d . . . O5 O -0.03016(11) 0.10005(6) 0.68591(5) 0.0325(2) Uani 1 1 d . . . O6 O 0.03457(9) 0.23661(5) 0.68142(4) 0.02679(19) Uani 1 1 d . . . O7 O 0.25699(9) 0.42932(5) 0.90695(4) 0.02639(18) Uani 1 1 d . . . O8 O 0.57579(10) 0.21798(7) 0.68976(5) 0.0364(2) Uani 1 1 d . . . N1 N 0.11468(12) -0.06015(7) 0.96988(6) 0.0346(3) Uani 1 1 d . . . N2 N 0.02983(10) 0.37321(6) 0.99523(5) 0.0211(2) Uani 1 1 d . . . N3 N -0.10927(12) 0.19362(6) 0.76300(5) 0.0262(2) Uani 1 1 d . . . C1 C 0.09897(13) 0.02536(8) 0.94448(7) 0.0282(3) Uani 1 1 d . . . C2 C 0.02783(13) 0.08198(7) 0.98441(6) 0.0241(2) Uani 1 1 d . . . H2 H -0.0094 0.0651 1.0269 0.029 Uiso 1 1 calc R . . C3 C 0.01119(12) 0.16354(7) 0.96213(6) 0.0223(2) Uani 1 1 d . . . C4 C 0.06237(12) 0.18466(7) 0.89754(6) 0.0224(2) Uani 1 1 d . . . C5 C 0.13728(13) 0.12719(8) 0.85905(7) 0.0275(3) Uani 1 1 d . . . H5 H 0.1748 0.1433 0.8165 0.033 Uiso 1 1 calc R . . C6 C 0.15708(13) 0.04683(8) 0.88269(7) 0.0300(3) Uani 1 1 d . . . H6 H 0.2091 0.0075 0.8572 0.036 Uiso 1 1 calc R . . C7 C -0.05353(12) 0.22758(7) 1.00872(6) 0.0220(2) Uani 1 1 d . . . H7A H -0.0811 0.2007 1.0519 0.026 Uiso 1 1 calc R . . H7B H -0.1374 0.2509 0.9872 0.026 Uiso 1 1 calc R . . C8 C 0.04888(12) 0.29732(7) 1.02309(6) 0.0210(2) Uani 1 1 d . . . C9 C -0.09614(12) 0.39785(7) 0.95857(6) 0.0220(2) Uani 1 1 d . . . H9A H -0.1116 0.4579 0.9670 0.026 Uiso 1 1 calc R . . H9B H -0.1747 0.3675 0.9791 0.026 Uiso 1 1 calc R . . C10 C -0.10191(12) 0.38372(7) 0.88107(6) 0.0224(2) Uani 1 1 d . . . H10 H -0.0245 0.4151 0.8592 0.027 Uiso 1 1 calc R . . C101 C -0.23996(14) 0.42128(8) 0.85741(7) 0.0307(3) Uani 1 1 d . . . H10A H -0.2379 0.4292 0.8081 0.046 Uiso 1 1 calc R . . H10B H -0.2544 0.4751 0.8798 0.046 Uiso 1 1 calc R . . H10C H -0.3155 0.3834 0.8693 0.046 Uiso 1 1 calc R . . C11 C -0.09254(12) 0.29207(7) 0.86034(6) 0.0211(2) Uani 1 1 d . . . H11 H -0.1580 0.2584 0.8884 0.025 Uiso 1 1 calc R . . C12 C 0.13245(13) 0.43893(8) 1.01113(6) 0.0244(2) Uani 1 1 d . . . H12 H 0.2150 0.4106 1.0311 0.029 Uiso 1 1 calc R . . C121 C 0.07608(15) 0.49870(9) 1.06522(7) 0.0332(3) Uani 1 1 d . . . H12A H -0.0015 0.5303 1.0463 0.050 Uiso 1 1 calc R . . H12B H 0.1492 0.5373 1.0792 0.050 Uiso 1 1 calc R . . H12C H 0.0446 0.4667 1.1047 0.050 Uiso 1 1 calc R . . C13 C 0.18112(13) 0.48548(8) 0.94853(7) 0.0260(3) Uani 1 1 d . . . H13A H 0.1008 0.5076 0.9232 0.031 Uiso 1 1 calc R . . H13B H 0.2404 0.5330 0.9620 0.031 Uiso 1 1 calc R . . C14 C -0.12586(13) 0.28006(8) 0.78492(6) 0.0253(2) Uani 1 1 d . . . H14A H -0.2222 0.2979 0.7764 0.030 Uiso 1 1 calc R . . H14B H -0.0643 0.3161 0.7576 0.030 Uiso 1 1 calc R . . C15 C -0.19993(15) 0.13036(8) 0.79272(7) 0.0313(3) Uani 1 1 d . . . H15A H -0.2685 0.1129 0.7590 0.047 Uiso 1 1 calc R . . H15B H -0.2472 0.1537 0.8324 0.047 Uiso 1 1 calc R . . H15C H -0.1448 0.0821 0.8067 0.047 Uiso 1 1 calc R . . C16 C -0.03405(14) 0.17113(7) 0.70774(6) 0.0250(2) Uani 1 1 d . . . C17 C 0.12071(14) 0.22695(8) 0.62031(6) 0.0305(3) Uani 1 1 d . . . C171 C 0.23455(18) 0.16444(10) 0.63318(9) 0.0463(4) Uani 1 1 d . . . H17A H 0.2820 0.1784 0.6756 0.069 Uiso 1 1 calc R . . H17B H 0.3007 0.1660 0.5955 0.069 Uiso 1 1 calc R . . H17C H 0.1947 0.1085 0.6367 0.069 Uiso 1 1 calc R . . C172 C 0.02985(19) 0.20445(10) 0.55995(7) 0.0443(4) Uani 1 1 d . . . H17D H -0.0140 0.1503 0.5680 0.066 Uiso 1 1 calc R . . H17E H 0.0866 0.2014 0.5188 0.066 Uiso 1 1 calc R . . H17F H -0.0416 0.2471 0.5541 0.066 Uiso 1 1 calc R . . C173 C 0.18031(16) 0.31420(9) 0.61186(7) 0.0365(3) Uani 1 1 d . . . H17G H 0.1048 0.3544 0.6068 0.055 Uiso 1 1 calc R . . H17H H 0.2391 0.3158 0.5714 0.055 Uiso 1 1 calc R . . H17I H 0.2353 0.3285 0.6520 0.055 Uiso 1 1 calc R . . C18 C 0.29623(15) 0.46496(9) 0.84368(7) 0.0313(3) Uani 1 1 d . . . H18A H 0.3567 0.5138 0.8515 0.038 Uiso 1 1 calc R . . H18B H 0.2131 0.4840 0.8189 0.038 Uiso 1 1 calc R . . C19 C 0.37178(13) 0.40069(8) 0.80225(6) 0.0273(3) Uani 1 1 d . . . C20 C 0.45738(13) 0.42432(9) 0.74865(6) 0.0301(3) Uani 1 1 d . . . H20 H 0.4688 0.4819 0.7389 0.036 Uiso 1 1 calc R . . C21 C 0.52660(13) 0.36571(9) 0.70904(6) 0.0309(3) Uani 1 1 d . . . H21 H 0.5829 0.3832 0.6722 0.037 Uiso 1 1 calc R . . C22 C 0.51247(13) 0.28170(9) 0.72393(6) 0.0297(3) Uani 1 1 d . . . C23 C 0.42810(14) 0.25718(9) 0.77792(6) 0.0303(3) Uani 1 1 d . . . H23 H 0.4197 0.1998 0.7889 0.036 Uiso 1 1 calc R . . C24 C 0.35681(13) 0.31570(9) 0.81544(6) 0.0280(3) Uani 1 1 d . . . H24 H 0.2967 0.2979 0.8507 0.034 Uiso 1 1 calc R . . C25 C 0.65419(18) 0.23894(11) 0.63092(8) 0.0446(4) Uani 1 1 d . . . H25A H 0.5958 0.2698 0.5990 0.067 Uiso 1 1 calc R . . H25B H 0.6876 0.1878 0.6092 0.067 Uiso 1 1 calc R . . H25C H 0.7331 0.2736 0.6441 0.067 Uiso 1 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 0.0503(6) 0.0278(5) 0.0676(7) -0.0049(5) -0.0035(6) 0.0144(5) O2 0.0527(6) 0.0287(5) 0.0455(6) 0.0070(4) -0.0069(5) 0.0014(5) O3 0.0204(4) 0.0217(4) 0.0244(4) -0.0004(3) 0.0024(3) 0.0000(3) O4 0.0238(4) 0.0290(4) 0.0262(4) 0.0006(4) -0.0043(3) 0.0016(4) O5 0.0438(5) 0.0249(4) 0.0286(4) -0.0053(4) 0.0056(4) -0.0071(4) O6 0.0321(4) 0.0239(4) 0.0243(4) -0.0031(3) 0.0066(4) -0.0054(4) O7 0.0269(4) 0.0260(4) 0.0263(4) 0.0045(3) 0.0016(4) 0.0034(4) O8 0.0361(5) 0.0447(6) 0.0284(4) 0.0023(4) 0.0084(4) 0.0038(4) N1 0.0354(6) 0.0234(5) 0.0449(7) -0.0031(5) -0.0119(6) 0.0028(5) N2 0.0193(4) 0.0224(5) 0.0217(4) -0.0041(4) -0.0013(4) 0.0011(4) N3 0.0340(6) 0.0249(5) 0.0198(5) -0.0025(4) 0.0020(4) -0.0077(4) C1 0.0250(6) 0.0217(6) 0.0379(7) -0.0022(5) -0.0090(5) -0.0003(5) C2 0.0207(5) 0.0245(6) 0.0271(6) -0.0002(5) -0.0054(5) -0.0028(5) C3 0.0183(5) 0.0231(6) 0.0254(6) -0.0023(5) -0.0035(4) -0.0007(4) C4 0.0190(5) 0.0223(6) 0.0258(6) -0.0031(5) -0.0017(4) -0.0017(4) C5 0.0238(6) 0.0287(6) 0.0300(6) -0.0040(5) 0.0025(5) -0.0004(5) C6 0.0261(6) 0.0262(6) 0.0378(7) -0.0094(5) -0.0022(5) 0.0047(5) C7 0.0216(6) 0.0238(6) 0.0206(5) 0.0012(5) 0.0009(4) 0.0000(5) C8 0.0196(5) 0.0262(6) 0.0172(5) -0.0035(4) 0.0024(4) 0.0016(5) C9 0.0209(6) 0.0206(5) 0.0246(6) -0.0037(4) -0.0009(5) 0.0036(4) C10 0.0227(6) 0.0217(6) 0.0228(6) 0.0001(5) -0.0016(5) -0.0007(5) C101 0.0331(7) 0.0265(6) 0.0326(7) -0.0027(5) -0.0086(6) 0.0058(6) C11 0.0199(5) 0.0232(6) 0.0201(5) -0.0005(4) 0.0005(4) -0.0004(4) C12 0.0230(6) 0.0230(6) 0.0272(6) -0.0043(5) -0.0035(5) -0.0001(5) C121 0.0376(7) 0.0314(7) 0.0307(7) -0.0109(5) 0.0000(6) -0.0030(6) C13 0.0240(6) 0.0217(6) 0.0324(7) -0.0018(5) -0.0030(5) -0.0008(5) C14 0.0294(6) 0.0254(6) 0.0211(5) -0.0006(5) 0.0008(5) -0.0006(5) C15 0.0370(7) 0.0313(6) 0.0254(6) -0.0019(5) 0.0034(5) -0.0112(6) C16 0.0296(6) 0.0249(6) 0.0205(5) -0.0010(5) -0.0015(5) -0.0059(5) C17 0.0355(7) 0.0319(7) 0.0242(6) -0.0033(5) 0.0082(5) -0.0082(6) C171 0.0436(9) 0.0382(8) 0.0570(10) -0.0082(7) 0.0154(8) 0.0004(7) C172 0.0601(10) 0.0491(9) 0.0238(6) -0.0016(6) 0.0047(7) -0.0219(8) C173 0.0398(8) 0.0379(7) 0.0318(7) 0.0005(6) 0.0064(6) -0.0115(6) C18 0.0299(7) 0.0315(7) 0.0324(7) 0.0108(5) 0.0021(5) 0.0031(5) C19 0.0202(6) 0.0361(7) 0.0257(6) 0.0077(5) -0.0044(5) 0.0016(5) C20 0.0265(6) 0.0351(7) 0.0287(6) 0.0119(5) -0.0023(5) 0.0000(6) C21 0.0231(6) 0.0468(8) 0.0229(6) 0.0104(6) 0.0012(5) 0.0003(6) C22 0.0246(6) 0.0418(7) 0.0227(6) 0.0046(5) -0.0018(5) 0.0023(6) C23 0.0302(7) 0.0343(7) 0.0265(6) 0.0050(5) 0.0008(5) -0.0016(5) C24 0.0232(6) 0.0382(7) 0.0226(6) 0.0068(5) 0.0006(5) -0.0016(5) C25 0.0466(9) 0.0583(10) 0.0289(7) 0.0029(7) 0.0115(7) 0.0056(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 N1 1.2291(16) . ? O2 N1 1.2294(17) . ? O3 C4 1.3671(14) . ? O3 C11 1.4557(14) . ? O4 C8 1.2351(15) . ? O5 C16 1.2197(15) . ? O6 C16 1.3469(15) . ? O6 C17 1.4723(15) . ? O7 C13 1.4222(15) . ? O7 C18 1.4225(16) . ? O8 C22 1.3690(17) . ? O8 C25 1.4254(17) . ? N1 C1 1.4683(16) . ? N2 C8 1.3484(15) . ? N2 C9 1.4715(15) . ? N2 C12 1.4825(15) . ? N3 C16 1.3583(16) . ? N3 C14 1.4617(16) . ? N3 C15 1.4640(16) . ? C1 C6 1.384(2) . ? C1 C2 1.3851(18) . ? C2 C3 1.3898(17) . ? C3 C4 1.4066(17) . ? C3 C7 1.5134(16) . ? C4 C5 1.3968(17) . ? C5 C6 1.3845(19) . ? C7 C8 1.5219(16) . ? C9 C10 1.5438(16) . ? C10 C11 1.5292(16) . ? C10 C101 1.5385(17) . ? C11 C14 1.5319(16) . ? C12 C13 1.5165(18) . ? C12 C121 1.5338(17) . ? C17 C171 1.512(2) . ? C17 C172 1.522(2) . ? C17 C173 1.5236(19) . ? C18 C19 1.5049(19) . ? C19 C20 1.3946(18) . ? C19 C24 1.3960(19) . ? C20 C21 1.394(2) . ? C21 C22 1.387(2) . ? C22 C23 1.3974(18) . ? C23 C24 1.3799(19) . ? 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 C4 O3 C11 116.40(9) . . ? C16 O6 C17 120.78(9) . . ? C13 O7 C18 112.79(10) . . ? C22 O8 C25 117.50(12) . . ? O1 N1 O2 123.83(12) . . ? O1 N1 C1 117.86(12) . . ? O2 N1 C1 118.31(11) . . ? C8 N2 C9 123.76(10) . . ? C8 N2 C12 117.70(10) . . ? C9 N2 C12 117.91(9) . . ? C16 N3 C14 123.20(10) . . ? C16 N3 C15 117.23(10) . . ? C14 N3 C15 118.30(10) . . ? C6 C1 C2 122.54(12) . . ? C6 C1 N1 119.34(12) . . ? C2 C1 N1 118.11(12) . . ? C1 C2 C3 119.76(12) . . ? C2 C3 C4 118.14(11) . . ? C2 C3 C7 119.75(11) . . ? C4 C3 C7 122.03(11) . . ? O3 C4 C5 117.65(11) . . ? O3 C4 C3 121.27(10) . . ? C5 C4 C3 120.96(11) . . ? C6 C5 C4 120.30(12) . . ? C1 C6 C5 118.12(12) . . ? C3 C7 C8 110.02(9) . . ? O4 C8 N2 122.45(11) . . ? O4 C8 C7 117.58(10) . . ? N2 C8 C7 119.96(10) . . ? N2 C9 C10 118.39(10) . . ? C11 C10 C101 110.34(10) . . ? C11 C10 C9 113.76(9) . . ? C101 C10 C9 105.85(10) . . ? O3 C11 C10 108.46(9) . . ? O3 C11 C14 108.13(9) . . ? C10 C11 C14 111.55(9) . . ? N2 C12 C13 112.78(10) . . ? N2 C12 C121 110.67(10) . . ? C13 C12 C121 111.53(10) . . ? O7 C13 C12 108.44(10) . . ? N3 C14 C11 112.49(10) . . ? O5 C16 O6 125.37(11) . . ? O5 C16 N3 123.19(11) . . ? O6 C16 N3 111.44(10) . . ? O6 C17 C171 110.24(11) . . ? O6 C17 C172 109.62(11) . . ? C171 C17 C172 113.26(13) . . ? O6 C17 C173 101.95(10) . . ? C171 C17 C173 110.61(12) . . ? C172 C17 C173 110.58(12) . . ? O7 C18 C19 109.21(10) . . ? C20 C19 C24 117.93(12) . . ? C20 C19 C18 120.85(12) . . ? C24 C19 C18 121.22(11) . . ? C21 C20 C19 121.72(12) . . ? C22 C21 C20 119.37(12) . . ? O8 C22 C21 125.32(12) . . ? O8 C22 C23 115.18(12) . . ? C21 C22 C23 119.49(13) . . ? C24 C23 C22 120.55(13) . . ? C23 C24 C19 120.88(12) . . ? _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 67.50 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 0.167 _refine_diff_density_min -0.147 _refine_diff_density_rms 0.030