# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2015

 
data_007-13159 
  
_vrf_PLAT019_007-13159 
; 
PROBLEM: Check _diffrn_measured_fraction_theta_full/_max 
RESPONSE: Due to instrument limitations, a high resolution 
cutoff of 0.84 \%A was applied to the data. 
; 
  
_audit_creation_method            SHELXL-2013 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          'C23 H24 O4' 
_chemical_formula_sum 
 'C23 H24 O4' 
_chemical_formula_weight          364.42 
  
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' 
 'O'  'O'   0.0492   0.0322 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_space_group_crystal_system       triclinic 
_space_group_IT_number            2 
_space_group_name_H-M_alt         'P -1' 
_space_group_name_Hall            '-P 1' 
  
_shelx_space_group_comment 
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
; 
  
loop_ 
 _space_group_symop_operation_xyz 
 'x, y, z' 
 '-x, -y, -z' 
  
_cell_length_a                    5.59160(10) 
_cell_length_b                    11.9281(2) 
_cell_length_c                    15.3677(11) 
_cell_angle_alpha                 70.326(5) 
_cell_angle_beta                  80.097(6) 
_cell_angle_gamma                 79.031(6) 
_cell_volume                      941.04(8) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     93(2) 
_cell_measurement_reflns_used     25939 
_cell_measurement_theta_min       3.1 
_cell_measurement_theta_max       66.7 
  
_exptl_crystal_description        Plate 
_exptl_crystal_colour             Colorless 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_density_diffrn     1.286 
_exptl_crystal_F_000              388 
_exptl_transmission_factor_min    ? 
_exptl_transmission_factor_max    ? 
_exptl_crystal_size_max           0.270 
_exptl_crystal_size_mid           0.140 
_exptl_crystal_size_min           0.050 
_exptl_absorpt_coefficient_mu     0.701 
_shelx_estimated_absorpt_T_min    0.833 
_shelx_estimated_absorpt_T_max    0.966 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.850 
_exptl_absorpt_correction_T_max   0.966 
_exptl_absorpt_process_details    'Jacobson, R. (1998) Private Communication' 
  
_exptl_special_details 
; 
 'Rigaku MicroMax-007HF, Rigaku Saturn 944+ CCD' 
; 
  
_diffrn_ambient_temperature       93(2) 
_diffrn_radiation_wavelength      1.54187 
_diffrn_radiation_type            CuK\a 
_diffrn_source                    'Rotating Anode' 
_diffrn_measurement_device_type   'Rigaku Saturn 944+ CCD' 
_diffrn_measurement_method        ω 
_diffrn_detector_area_resol_mean  22.2 
_diffrn_reflns_number             28626 
_diffrn_reflns_av_unetI/netI      0.0201 
_diffrn_reflns_av_R_equivalents   0.0430 
_diffrn_reflns_limit_h_min        -6 
_diffrn_reflns_limit_h_max        6 
_diffrn_reflns_limit_k_min        -14 
_diffrn_reflns_limit_k_max        14 
_diffrn_reflns_limit_l_min        -18 
_diffrn_reflns_limit_l_max        18 
_diffrn_reflns_theta_min          3.075 
_diffrn_reflns_theta_max          66.499 
_diffrn_reflns_theta_full         67.687 
_diffrn_measured_fraction_theta_max   0.978 
_diffrn_measured_fraction_theta_full  0.950 
_diffrn_reflns_Laue_measured_fraction_max    0.978 
_diffrn_reflns_Laue_measured_fraction_full   0.950 
_diffrn_reflns_point_group_measured_fraction_max   0.978 
_diffrn_reflns_point_group_measured_fraction_full  0.950 
_reflns_number_total              3254 
_reflns_number_gt                 3006 
_reflns_threshold_expression      'I > 2σ(I)' 
_reflns_Friedel_coverage          0.000 
_reflns_Friedel_fraction_max      . 
_reflns_Friedel_fraction_full     . 
  
_reflns_special_details 
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
; 
  
_computing_data_collection        'CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)' 
_computing_cell_refinement        'CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)' 
_computing_data_reduction         'CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)' 
_computing_structure_solution     'SHELXS-2013 (Sheldrick, 2013)' 
_computing_structure_refinement   'SHELXL-2013 (Sheldrick, 2013)' 
_computing_molecular_graphics     ? 
_computing_publication_material   'SHELXL-2013 (Sheldrick, 2013)' 
  
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

 The hydrogen atoms were first found in the difference map, then generated 
 geometrically and refined as riding atoms with C-H distances = 0.95- 0.99 
 Å and Uiso(H) = 1.2 times Ueq(C) for CH and CH2 groups and Uiso(H) 
 = 1.5 times Ueq(C) for CH3 group.
; 
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
'w=1/[σ²(Fo²)+(0.0290P)²+0.2939P] where P=(Fo²+2Fc²)/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_number_reflns          3254 
_refine_ls_number_parameters      244 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0317 
_refine_ls_R_factor_gt            0.0294 
_refine_ls_wR_factor_ref          0.0749 
_refine_ls_wR_factor_gt           0.0735 
_refine_ls_goodness_of_fit_ref    1.073 
_refine_ls_restrained_S_all       1.073 
_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_site_symmetry_order 
 _atom_site_calc_flag 
 _atom_site_refinement_flags_posn 
 _atom_site_refinement_flags_adp 
 _atom_site_refinement_flags_occupancy 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
O1 O 0.10427(13) 0.86590(7) 0.79947(5) 0.02322(18) Uani 1 1 d . . . . . 
C1 C 0.30740(19) 0.89326(9) 0.74106(8) 0.0200(2) Uani 1 1 d . . . . . 
O2 O 0.50504(14) 0.88448(7) 0.76624(5) 0.02537(19) Uani 1 1 d . . . . . 
C2 C 0.2582(2) 0.94031(10) 0.63997(8) 0.0214(2) Uani 1 1 d . . . . . 
H2 H 0.4191 0.9324 0.6008 0.026 Uiso 1 1 calc R U . . . 
C3 C 0.0884(2) 0.87006(10) 0.61701(8) 0.0239(2) Uani 1 1 d . . . . . 
H3A H -0.0743 0.8812 0.6529 0.029 Uiso 1 1 calc R U . . . 
H3B H 0.0664 0.9063 0.5502 0.029 Uiso 1 1 calc R U . . . 
C4 C 0.1701(2) 0.73760(10) 0.63603(8) 0.0250(3) Uani 1 1 d . . . . . 
H4 H 0.0624 0.6949 0.6221 0.030 Uiso 1 1 calc R U . . . 
C5 C 0.3728(2) 0.67249(10) 0.66972(8) 0.0240(2) Uani 1 1 d . . . . . 
H5 H 0.4929 0.7127 0.6790 0.029 Uiso 1 1 calc R U . . . 
C6 C 0.4215(2) 0.53767(10) 0.69402(8) 0.0248(3) Uani 1 1 d . . . . . 
H6A H 0.5947 0.5129 0.6727 0.030 Uiso 1 1 calc R U . . . 
H6B H 0.3162 0.5113 0.6612 0.030 Uiso 1 1 calc R U . . . 
C7 C 0.37019(19) 0.47562(10) 0.80014(8) 0.0206(2) Uani 1 1 d . . . . . 
H7 H 0.4857 0.4987 0.8320 0.025 Uiso 1 1 calc R U . . . 
C8 C 0.11026(19) 0.52457(9) 0.83093(8) 0.0210(2) Uani 1 1 d . . . . . 
O3 O 0.10755(13) 0.58941(7) 0.88753(5) 0.02257(18) Uani 1 1 d . . . . . 
O4 O -0.07227(14) 0.51175(7) 0.80551(6) 0.0297(2) Uani 1 1 d . . . . . 
C9 C -0.12612(19) 0.66161(10) 0.90408(8) 0.0239(2) Uani 1 1 d . . . . . 
H9A H -0.2441 0.6095 0.9463 0.029 Uiso 1 1 calc R U . . . 
H9B H -0.1959 0.7049 0.8447 0.029 Uiso 1 1 calc R U . . . 
C10 C -0.0784(2) 0.75030(10) 0.94775(8) 0.0256(3) Uani 1 1 d . . . . . 
H10A H -0.2272 0.8102 0.9487 0.031 Uiso 1 1 calc R U . . . 
H10B H -0.0475 0.7068 1.0130 0.031 Uiso 1 1 calc R U . . . 
C11 C 0.1368(2) 0.81565(11) 0.89732(8) 0.0252(3) Uani 1 1 d . . . . . 
H11A H 0.1447 0.8806 0.9228 0.030 Uiso 1 1 calc R U . . . 
H11B H 0.2919 0.7591 0.9056 0.030 Uiso 1 1 calc R U . . . 
C12 C 0.1595(2) 1.07429(10) 0.61715(7) 0.0206(2) Uani 1 1 d . . . . . 
C13 C -0.0784(2) 1.11374(10) 0.65082(8) 0.0234(2) Uani 1 1 d . . . . . 
H13 H -0.1836 1.0567 0.6869 0.028 Uiso 1 1 calc R U . . . 
C14 C -0.1624(2) 1.23564(11) 0.63200(8) 0.0264(3) Uani 1 1 d . . . . . 
H14 H -0.3245 1.2616 0.6553 0.032 Uiso 1 1 calc R U . . . 
C15 C -0.0105(2) 1.31993(10) 0.57927(8) 0.0271(3) Uani 1 1 d . . . . . 
H15 H -0.0684 1.4034 0.5664 0.033 Uiso 1 1 calc R U . . . 
C16 C 0.2256(2) 1.28148(10) 0.54561(8) 0.0269(3) Uani 1 1 d . . . . . 
H16 H 0.3301 1.3388 0.5094 0.032 Uiso 1 1 calc R U . . . 
C17 C 0.3102(2) 1.15944(10) 0.56464(8) 0.0233(2) Uani 1 1 d . . . . . 
H17 H 0.4728 1.1338 0.5415 0.028 Uiso 1 1 calc R U . . . 
C18 C 0.41021(19) 0.33969(10) 0.82441(7) 0.0197(2) Uani 1 1 d . . . . . 
C19 C 0.6057(2) 0.27290(10) 0.87307(8) 0.0224(2) Uani 1 1 d . . . . . 
H19 H 0.7095 0.3127 0.8920 0.027 Uiso 1 1 calc R U . . . 
C20 C 0.6505(2) 0.14872(10) 0.89412(8) 0.0250(3) Uani 1 1 d . . . . . 
H20 H 0.7848 0.1041 0.9272 0.030 Uiso 1 1 calc R U . . . 
C21 C 0.5004(2) 0.08948(10) 0.86718(8) 0.0254(3) Uani 1 1 d . . . . . 
H21 H 0.5308 0.0044 0.8818 0.030 Uiso 1 1 calc R U . . . 
C22 C 0.3054(2) 0.15530(10) 0.81863(8) 0.0246(2) Uani 1 1 d . . . . . 
H22 H 0.2018 0.1151 0.8000 0.030 Uiso 1 1 calc R U . . . 
C23 C 0.26052(19) 0.27945(10) 0.79710(8) 0.0219(2) Uani 1 1 d . . . . . 
H23 H 0.1269 0.3238 0.7635 0.026 Uiso 1 1 calc R U . . . 
  
  
_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 1.3399(13) . ? 
O1 C11 1.4489(13) . ? 
C1 O2 1.2074(13) . ? 
C1 C2 1.5183(15) . ? 
C2 C12 1.5281(15) . ? 
C2 C3 1.5316(15) . ? 
C2 H2 1.0000 . ? 
C3 C4 1.5002(15) . ? 
C3 H3A 0.9900 . ? 
C3 H3B 0.9900 . ? 
C4 C5 1.3235(17) . ? 
C4 H4 0.9500 . ? 
C5 C6 1.5046(15) . ? 
C5 H5 0.9500 . ? 
C6 C7 1.5482(16) . ? 
C6 H6A 0.9900 . ? 
C6 H6B 0.9900 . ? 
C7 C18 1.5171(15) . ? 
C7 C8 1.5178(14) . ? 
C7 H7 1.0000 . ? 
C8 O4 1.2060(13) . ? 
C8 O3 1.3413(13) . ? 
O3 C9 1.4555(12) . ? 
C9 C10 1.5127(16) . ? 
C9 H9A 0.9900 . ? 
C9 H9B 0.9900 . ? 
C10 C11 1.5119(16) . ? 
C10 H10A 0.9900 . ? 
C10 H10B 0.9900 . ? 
C11 H11A 0.9900 . ? 
C11 H11B 0.9900 . ? 
C12 C17 1.3902(16) . ? 
C12 C13 1.3958(15) . ? 
C13 C14 1.3863(16) . ? 
C13 H13 0.9500 . ? 
C14 C15 1.3885(17) . ? 
C14 H14 0.9500 . ? 
C15 C16 1.3841(17) . ? 
C15 H15 0.9500 . ? 
C16 C17 1.3883(16) . ? 
C16 H16 0.9500 . ? 
C17 H17 0.9500 . ? 
C18 C19 1.3921(15) . ? 
C18 C23 1.3949(15) . ? 
C19 C20 1.3877(16) . ? 
C19 H19 0.9500 . ? 
C20 C21 1.3847(16) . ? 
C20 H20 0.9500 . ? 
C21 C22 1.3862(17) . ? 
C21 H21 0.9500 . ? 
C22 C23 1.3867(16) . ? 
C22 H22 0.9500 . ? 
C23 H23 0.9500 . ? 
  
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 C11 115.79(8) . . ? 
O2 C1 O1 123.76(10) . . ? 
O2 C1 C2 124.03(10) . . ? 
O1 C1 C2 112.19(9) . . ? 
C1 C2 C12 107.89(8) . . ? 
C1 C2 C3 113.39(9) . . ? 
C12 C2 C3 112.41(9) . . ? 
C1 C2 H2 107.6 . . ? 
C12 C2 H2 107.6 . . ? 
C3 C2 H2 107.6 . . ? 
C4 C3 C2 116.62(9) . . ? 
C4 C3 H3A 108.1 . . ? 
C2 C3 H3A 108.1 . . ? 
C4 C3 H3B 108.1 . . ? 
C2 C3 H3B 108.1 . . ? 
H3A C3 H3B 107.3 . . ? 
C5 C4 C3 128.41(11) . . ? 
C5 C4 H4 115.8 . . ? 
C3 C4 H4 115.8 . . ? 
C4 C5 C6 122.96(11) . . ? 
C4 C5 H5 118.5 . . ? 
C6 C5 H5 118.5 . . ? 
C5 C6 C7 111.47(9) . . ? 
C5 C6 H6A 109.3 . . ? 
C7 C6 H6A 109.3 . . ? 
C5 C6 H6B 109.3 . . ? 
C7 C6 H6B 109.3 . . ? 
H6A C6 H6B 108.0 . . ? 
C18 C7 C8 112.53(9) . . ? 
C18 C7 C6 111.54(9) . . ? 
C8 C7 C6 107.36(9) . . ? 
C18 C7 H7 108.4 . . ? 
C8 C7 H7 108.4 . . ? 
C6 C7 H7 108.4 . . ? 
O4 C8 O3 123.40(10) . . ? 
O4 C8 C7 125.07(10) . . ? 
O3 C8 C7 111.47(9) . . ? 
C8 O3 C9 115.30(8) . . ? 
O3 C9 C10 107.43(9) . . ? 
O3 C9 H9A 110.2 . . ? 
C10 C9 H9A 110.2 . . ? 
O3 C9 H9B 110.2 . . ? 
C10 C9 H9B 110.2 . . ? 
H9A C9 H9B 108.5 . . ? 
C11 C10 C9 113.47(9) . . ? 
C11 C10 H10A 108.9 . . ? 
C9 C10 H10A 108.9 . . ? 
C11 C10 H10B 108.9 . . ? 
C9 C10 H10B 108.9 . . ? 
H10A C10 H10B 107.7 . . ? 
O1 C11 C10 108.24(9) . . ? 
O1 C11 H11A 110.1 . . ? 
C10 C11 H11A 110.1 . . ? 
O1 C11 H11B 110.1 . . ? 
C10 C11 H11B 110.1 . . ? 
H11A C11 H11B 108.4 . . ? 
C17 C12 C13 118.76(10) . . ? 
C17 C12 C2 120.00(10) . . ? 
C13 C12 C2 121.20(10) . . ? 
C14 C13 C12 120.46(11) . . ? 
C14 C13 H13 119.8 . . ? 
C12 C13 H13 119.8 . . ? 
C13 C14 C15 120.31(11) . . ? 
C13 C14 H14 119.8 . . ? 
C15 C14 H14 119.8 . . ? 
C16 C15 C14 119.56(11) . . ? 
C16 C15 H15 120.2 . . ? 
C14 C15 H15 120.2 . . ? 
C15 C16 C17 120.20(11) . . ? 
C15 C16 H16 119.9 . . ? 
C17 C16 H16 119.9 . . ? 
C16 C17 C12 120.71(10) . . ? 
C16 C17 H17 119.6 . . ? 
C12 C17 H17 119.6 . . ? 
C19 C18 C23 118.76(10) . . ? 
C19 C18 C7 119.33(9) . . ? 
C23 C18 C7 121.89(10) . . ? 
C20 C19 C18 120.58(10) . . ? 
C20 C19 H19 119.7 . . ? 
C18 C19 H19 119.7 . . ? 
C21 C20 C19 120.34(10) . . ? 
C21 C20 H20 119.8 . . ? 
C19 C20 H20 119.8 . . ? 
C20 C21 C22 119.46(10) . . ? 
C20 C21 H21 120.3 . . ? 
C22 C21 H21 120.3 . . ? 
C21 C22 C23 120.42(10) . . ? 
C21 C22 H22 119.8 . . ? 
C23 C22 H22 119.8 . . ? 
C22 C23 C18 120.45(10) . . ? 
C22 C23 H23 119.8 . . ? 
C18 C23 H23 119.8 . . ? 
  
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 
C11 O1 C1 O2 -4.28(15) . . . . ? 
C11 O1 C1 C2 177.59(8) . . . . ? 
O2 C1 C2 C12 -95.18(12) . . . . ? 
O1 C1 C2 C12 82.93(11) . . . . ? 
O2 C1 C2 C3 139.63(11) . . . . ? 
O1 C1 C2 C3 -42.25(12) . . . . ? 
C1 C2 C3 C4 -57.85(13) . . . . ? 
C12 C2 C3 C4 179.43(9) . . . . ? 
C2 C3 C4 C5 -0.61(18) . . . . ? 
C3 C4 C5 C6 174.03(11) . . . . ? 
C4 C5 C6 C7 -101.01(13) . . . . ? 
C5 C6 C7 C18 177.89(9) . . . . ? 
C5 C6 C7 C8 54.18(12) . . . . ? 
C18 C7 C8 O4 -59.67(14) . . . . ? 
C6 C7 C8 O4 63.43(14) . . . . ? 
C18 C7 C8 O3 123.10(10) . . . . ? 
C6 C7 C8 O3 -113.80(10) . . . . ? 
O4 C8 O3 C9 -10.34(15) . . . . ? 
C7 C8 O3 C9 166.94(9) . . . . ? 
C8 O3 C9 C10 -165.89(9) . . . . ? 
O3 C9 C10 C11 48.00(12) . . . . ? 
C1 O1 C11 C10 -159.85(9) . . . . ? 
C9 C10 C11 O1 51.31(12) . . . . ? 
C1 C2 C12 C17 104.45(11) . . . . ? 
C3 C2 C12 C17 -129.79(11) . . . . ? 
C1 C2 C12 C13 -73.31(12) . . . . ? 
C3 C2 C12 C13 52.45(13) . . . . ? 
C17 C12 C13 C14 0.08(16) . . . . ? 
C2 C12 C13 C14 177.87(10) . . . . ? 
C12 C13 C14 C15 0.09(17) . . . . ? 
C13 C14 C15 C16 -0.05(17) . . . . ? 
C14 C15 C16 C17 -0.15(17) . . . . ? 
C15 C16 C17 C12 0.32(17) . . . . ? 
C13 C12 C17 C16 -0.29(16) . . . . ? 
C2 C12 C17 C16 -178.10(10) . . . . ? 
C8 C7 C18 C19 -127.68(11) . . . . ? 
C6 C7 C18 C19 111.59(11) . . . . ? 
C8 C7 C18 C23 54.15(14) . . . . ? 
C6 C7 C18 C23 -66.58(13) . . . . ? 
C23 C18 C19 C20 -0.11(16) . . . . ? 
C7 C18 C19 C20 -178.34(10) . . . . ? 
C18 C19 C20 C21 -0.21(17) . . . . ? 
C19 C20 C21 C22 0.26(17) . . . . ? 
C20 C21 C22 C23 0.01(17) . . . . ? 
C21 C22 C23 C18 -0.33(17) . . . . ? 
C19 C18 C23 C22 0.38(16) . . . . ? 
C7 C18 C23 C22 178.56(10) . . . . ? 
  
_refine_diff_density_max    0.202 
_refine_diff_density_min   -0.148 
_refine_diff_density_rms    0.031 
  
_shelxl_version_number 2013-3 
  
  
  
