# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2020

  
data_190701a 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C26 H19 Cl O2' 
_chemical_formula_weight          398.86
_chemical_absolute_configuration  unknown 
  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' 
 'Cl'  'Cl'   0.3639   0.7018 
 '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                    9.0142(16) 
_cell_length_b                    9.975(2) 
_cell_length_c                    11.8175(14) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  95.440(13) 
_cell_angle_gamma                 90.00 
_cell_volume                      1057.8(3) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     864 
_cell_measurement_theta_min     4.4500 
_cell_measurement_theta_max     71.0690 
_exptl_crystal_description        block 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           0.40 
_exptl_crystal_size_mid           0.33 
_exptl_crystal_size_min           0.11 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.252 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              416 
_exptl_absorpt_coefficient_mu     1.739 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.5430 
_exptl_absorpt_correction_T_max   0.8317 
_exptl_absorpt_process_details    sadabs 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       293(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   'Xcalibur, Eos, Gemini' 
_diffrn_detector 'CCD plate' 
_diffrn_detector_type Eos 
_diffrn_detector_area_resol_mean 8.1281 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             3442 
_diffrn_reflns_av_R_equivalents   0.0320 
_diffrn_reflns_av_sigmaI/netI     0.0563 
_diffrn_reflns_limit_h_min        -10 
_diffrn_reflns_limit_h_max        10 
_diffrn_reflns_limit_k_min        -11 
_diffrn_reflns_limit_k_max        11 
_diffrn_reflns_limit_l_min        -14 
_diffrn_reflns_limit_l_max        9 
_diffrn_reflns_theta_min          3.76 
_diffrn_reflns_theta_max          66.00 
_reflns_number_total              2614 
_reflns_number_gt                 1890 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        'Bruker FRAMBO' 
_computing_cell_refinement        'Bruker FRAMBO' 
_computing_data_reduction         'Bruker SAINT' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'Bruker SHELXTL' 
_computing_publication_material   'Bruker SHELXTL' 
  
_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. 
; 
  
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0797P)²+0.0000P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.0079(14) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    0.04(4) 
_refine_ls_number_reflns          2614 
_refine_ls_number_parameters      283 
_refine_ls_number_restraints      177 
_refine_ls_R_factor_all           0.0844 
_refine_ls_R_factor_gt            0.0655 
_refine_ls_wR_factor_ref          0.1784 
_refine_ls_wR_factor_gt           0.1540 
_refine_ls_goodness_of_fit_ref    1.079 
_refine_ls_restrained_S_all       1.096 
_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 
Cl1 Cl 1.1380(12) 1.0975(16) 0.6371(9) 0.1000(15) Uani 0.484(8) 1 d PDU A 1 
Cl1' Cl 1.1741(11) 1.0964(15) 0.6059(8) 0.1000(15) Uani 0.516(8) 1 d PD A 2 
O1 O 1.1769(4) 1.6415(4) 0.6212(3) 0.0770(11) Uani 1 1 d . . . 
O2 O 1.2014(4) 1.5791(5) 0.8001(3) 0.0833(12) Uani 1 1 d . . . 
C1 C 1.2163(5) 1.5467(6) 0.7040(4) 0.0650(14) Uani 1 1 d . . . 
C2 C 1.2693(5) 1.4171(6) 0.6627(4) 0.0603(13) Uani 1 1 d . . . 
H2 H 1.1829 1.3755 0.6199 0.072 Uiso 1 1 calc R . . 
C3 C 1.3855(5) 1.4394(5) 0.5765(4) 0.0567(12) Uani 1 1 d . . . 
H3 H 1.3999 1.3530 0.5394 0.068 Uiso 1 1 calc R . . 
C4 C 1.3183(5) 1.5329(6) 0.4872(4) 0.0598(12) Uani 1 1 d . . . 
C5 C 1.2180(5) 1.6223(7) 0.5126(4) 0.0707(15) Uani 1 1 d . . . 
H5 H 1.1727 1.6749 0.4542 0.085 Uiso 1 1 calc R . . 
C6 C 1.3189(5) 1.3194(7) 0.7586(4) 0.0696(15) Uani 1 1 d . A . 
H6A H 1.3827 1.2520 0.7293 0.083 Uiso 1 1 calc R . . 
H6B H 1.3780 1.3680 0.8180 0.083 Uiso 1 1 calc R . . 
C7 C 1.1935(6) 1.2498(6) 0.8103(4) 0.0792(16) Uani 1 1 d DU . . 
C8 C 1.1006(19) 1.1496(18) 0.7699(11) 0.076(2) Uani 0.484(8) 1 d PDU A 1 
C9 C 0.9949(15) 1.0931(16) 0.8308(12) 0.089(3) Uani 0.484(8) 1 d PDU A 1 
H9 H 0.9370 1.0221 0.8009 0.107 Uiso 0.484(8) 1 calc PR A 1 
C10 C 0.9755(16) 1.1435(16) 0.9377(12) 0.089(3) Uani 0.484(8) 1 d PDU A 1 
H10 H 0.9013 1.1088 0.9788 0.106 Uiso 0.484(8) 1 calc PR A 1 
C11 C 1.0667(18) 1.2457(17) 0.9834(12) 0.098(3) Uani 0.484(8) 1 d PDU A 1 
H11 H 1.0594 1.2748 1.0574 0.117 Uiso 0.484(8) 1 calc PR A 1 
C12 C 1.170(2) 1.3046(16) 0.9177(11) 0.084(3) Uani 0.447(9) 1 d PDU A 1 
H12 H 1.2226 1.3800 0.9445 0.101 Uiso 0.484(8) 1 calc PR A 1 
C8' C 1.1250(17) 1.1491(17) 0.7400(11) 0.076(2) Uani 0.516(8) 1 d PD A 2 
C9' C 1.0099(14) 1.0722(14) 0.7775(11) 0.089(3) Uani 0.516(8) 1 d PD A 2 
H9' H 0.9640 1.0063 0.7307 0.107 Uiso 0.516(8) 1 calc PR A 2 
C10' C 0.9645(14) 1.0943(15) 0.8846(12) 0.089(3) Uani 0.516(8) 1 d PD A 2 
H10' H 0.8915 1.0402 0.9115 0.106 Uiso 0.516(8) 1 calc PR A 2 
C11' C 1.0270(16) 1.1961(17) 0.9509(12) 0.098(3) Uani 0.516(8) 1 d PD A 2 
H11' H 0.9888 1.2169 1.0191 0.117 Uiso 0.516(8) 1 calc PR A 2 
C12' C 1.1471(16) 1.2683(15) 0.9172(9) 0.084(3) Uani 0.516(8) 1 d PD A 2 
H12' H 1.1964 1.3295 0.9669 0.101 Uiso 0.516(8) 1 calc PR A 2 
C13 C 1.5376(5) 1.4853(6) 0.6293(4) 0.0562(12) Uani 1 1 d . . . 
C14 C 1.6495(5) 1.3934(7) 0.6574(4) 0.0709(15) Uani 1 1 d . . . 
H14 H 1.6310 1.3029 0.6438 0.085 Uiso 1 1 calc R . . 
C15 C 1.7877(6) 1.4325(8) 0.7050(5) 0.0812(17) Uani 1 1 d . . . 
H15 H 1.8612 1.3690 0.7245 0.097 Uiso 1 1 calc R . . 
C16 C 1.8164(6) 1.5671(8) 0.7235(5) 0.0807(18) Uani 1 1 d . . . 
H16 H 1.9105 1.5951 0.7533 0.097 Uiso 1 1 calc R . . 
C17 C 1.7065(6) 1.6584(7) 0.6981(5) 0.0817(17) Uani 1 1 d . . . 
H17 H 1.7247 1.7486 0.7136 0.098 Uiso 1 1 calc R . . 
C18 C 1.5684(5) 1.6188(6) 0.6497(4) 0.0676(14) Uani 1 1 d . . . 
H18 H 1.4953 1.6829 0.6307 0.081 Uiso 1 1 calc R . . 
C19 C 1.3693(5) 1.5263(6) 0.3765(4) 0.0622(13) Uani 1 1 d . . . 
C20 C 1.4221(5) 1.5118(6) 0.2880(4) 0.0641(13) Uani 1 1 d . . . 
C21 C 1.4914(5) 1.4970(6) 0.1843(4) 0.0606(12) Uani 1 1 d . . . 
C22 C 1.6023(7) 1.4039(7) 0.1778(5) 0.0796(16) Uani 1 1 d . . . 
H22 H 1.6299 1.3493 0.2401 0.096 Uiso 1 1 calc R . . 
C23 C 1.6740(8) 1.3903(8) 0.0797(6) 0.097(2) Uani 1 1 d . . . 
H23 H 1.7482 1.3262 0.0754 0.116 Uiso 1 1 calc R . . 
C24 C 1.6337(8) 1.4730(9) -0.0113(5) 0.098(2) Uani 1 1 d . . . 
H24 H 1.6822 1.4661 -0.0771 0.117 Uiso 1 1 calc R . . 
C25 C 1.5224(8) 1.5653(9) -0.0053(4) 0.100(2) Uani 1 1 d . . . 
H25 H 1.4942 1.6186 -0.0683 0.121 Uiso 1 1 calc R . . 
C26 C 1.4519(6) 1.5808(7) 0.0915(4) 0.0756(16) Uani 1 1 d . . . 
H26 H 1.3788 1.6461 0.0954 0.091 Uiso 1 1 calc R . . 
  
  
_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 
Cl1 C8 1.717(8) . ? 
Cl1' C8' 1.765(8) . ? 
O1 C5 1.383(6) . ? 
O1 C1 1.383(6) . ? 
O2 C1 1.200(5) . ? 
C1 C2 1.477(8) . ? 
C2 C6 1.530(7) . ? 
C2 C3 1.545(6) . ? 
C2 H2 0.9800 . ? 
C3 C4 1.493(7) . ? 
C3 C13 1.522(7) . ? 
C3 H3 0.9800 . ? 
C4 C5 1.324(7) . ? 
C4 C19 1.429(6) . ? 
C5 H5 0.9300 . ? 
C6 C7 1.504(7) . ? 
C6 H6A 0.9700 . ? 
C6 H6B 0.9700 . ? 
C7 C8 1.361(9) . ? 
C7 C12' 1.380(8) . ? 
C7 C8' 1.409(8) . ? 
C7 C12 1.417(9) . ? 
C8 C9 1.368(9) . ? 
C9 C10 1.386(9) . ? 
C9 H9 0.9300 . ? 
C10 C11 1.386(9) . ? 
C10 H10 0.9300 . ? 
C11 C12 1.394(9) . ? 
C11 H11 0.9300 . ? 
C12 H12 0.9300 . ? 
C8' C9' 1.396(9) . ? 
C9' C10' 1.385(9) . ? 
C9' H9' 0.9300 . ? 
C10' C11' 1.370(9) . ? 
C10' H10' 0.9300 . ? 
C11' C12' 1.390(9) . ? 
C11' H11' 0.9300 . ? 
C12' H12' 0.9300 . ? 
C13 C18 1.378(8) . ? 
C13 C14 1.380(7) . ? 
C14 C15 1.374(8) . ? 
C14 H14 0.9300 . ? 
C15 C16 1.380(10) . ? 
C15 H15 0.9300 . ? 
C16 C17 1.358(9) . ? 
C16 H16 0.9300 . ? 
C17 C18 1.377(7) . ? 
C17 H17 0.9300 . ? 
C18 H18 0.9300 . ? 
C19 C20 1.198(6) . ? 
C20 C21 1.435(6) . ? 
C21 C22 1.372(8) . ? 
C21 C26 1.398(7) . ? 
C22 C23 1.387(8) . ? 
C22 H22 0.9300 . ? 
C23 C24 1.377(11) . ? 
C23 H23 0.9300 . ? 
C24 C25 1.368(10) . ? 
C24 H24 0.9300 . ? 
C25 C26 1.369(8) . ? 
C25 H25 0.9300 . ? 
C26 H26 0.9300 . ? 
  
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 
C5 O1 C1 119.3(4) . . ? 
O2 C1 O1 116.2(5) . . ? 
O2 C1 C2 128.1(5) . . ? 
O1 C1 C2 115.7(4) . . ? 
C1 C2 C6 113.2(4) . . ? 
C1 C2 C3 110.7(4) . . ? 
C6 C2 C3 114.3(4) . . ? 
C1 C2 H2 106.0 . . ? 
C6 C2 H2 106.0 . . ? 
C3 C2 H2 106.0 . . ? 
C4 C3 C13 113.0(4) . . ? 
C4 C3 C2 107.5(4) . . ? 
C13 C3 C2 114.4(4) . . ? 
C4 C3 H3 107.2 . . ? 
C13 C3 H3 107.2 . . ? 
C2 C3 H3 107.2 . . ? 
C5 C4 C19 121.6(5) . . ? 
C5 C4 C3 120.1(4) . . ? 
C19 C4 C3 118.3(5) . . ? 
C4 C5 O1 123.5(5) . . ? 
C4 C5 H5 118.2 . . ? 
O1 C5 H5 118.2 . . ? 
C7 C6 C2 114.6(4) . . ? 
C7 C6 H6A 108.6 . . ? 
C2 C6 H6A 108.6 . . ? 
C7 C6 H6B 108.6 . . ? 
C2 C6 H6B 108.6 . . ? 
H6A C6 H6B 107.6 . . ? 
C8 C7 C12' 100.9(7) . . ? 
C8 C7 C8' 17.9(6) . . ? 
C12' C7 C8' 118.8(7) . . ? 
C8 C7 C12 117.2(8) . . ? 
C12' C7 C12 17.0(8) . . ? 
C8' C7 C12 135.1(7) . . ? 
C8 C7 C6 131.1(6) . . ? 
C12' C7 C6 127.9(7) . . ? 
C8' C7 C6 113.2(6) . . ? 
C12 C7 C6 111.7(7) . . ? 
C7 C8 C9 123.6(8) . . ? 
C7 C8 Cl1 112.1(8) . . ? 
C9 C8 Cl1 124.2(9) . . ? 
C8 C9 C10 119.0(10) . . ? 
C8 C9 H9 120.5 . . ? 
C10 C9 H9 120.5 . . ? 
C11 C10 C9 120.0(9) . . ? 
C11 C10 H10 120.0 . . ? 
C9 C10 H10 120.0 . . ? 
C10 C11 C12 119.6(10) . . ? 
C10 C11 H11 120.2 . . ? 
C12 C11 H11 120.2 . . ? 
C11 C12 C7 120.1(10) . . ? 
C11 C12 H12 119.9 . . ? 
C7 C12 H12 119.9 . . ? 
C9' C8' C7 120.1(8) . . ? 
C9' C8' Cl1' 112.2(8) . . ? 
C7 C8' Cl1' 127.5(8) . . ? 
C10' C9' C8' 119.7(9) . . ? 
C10' C9' H9' 120.1 . . ? 
C8' C9' H9' 120.1 . . ? 
C11' C10' C9' 120.0(9) . . ? 
C11' C10' H10' 120.0 . . ? 
C9' C10' H10' 120.0 . . ? 
C10' C11' C12' 120.6(10) . . ? 
C10' C11' H11' 119.7 . . ? 
C12' C11' H11' 119.7 . . ? 
C7 C12' C11' 120.3(9) . . ? 
C7 C12' H12' 119.8 . . ? 
C11' C12' H12' 119.8 . . ? 
C18 C13 C14 118.0(5) . . ? 
C18 C13 C3 121.5(5) . . ? 
C14 C13 C3 120.6(5) . . ? 
C15 C14 C13 121.6(6) . . ? 
C15 C14 H14 119.2 . . ? 
C13 C14 H14 119.2 . . ? 
C14 C15 C16 119.3(6) . . ? 
C14 C15 H15 120.3 . . ? 
C16 C15 H15 120.3 . . ? 
C17 C16 C15 119.7(6) . . ? 
C17 C16 H16 120.2 . . ? 
C15 C16 H16 120.2 . . ? 
C16 C17 C18 120.7(6) . . ? 
C16 C17 H17 119.6 . . ? 
C18 C17 H17 119.6 . . ? 
C17 C18 C13 120.6(5) . . ? 
C17 C18 H18 119.7 . . ? 
C13 C18 H18 119.7 . . ? 
C20 C19 C4 173.6(6) . . ? 
C19 C20 C21 177.5(5) . . ? 
C22 C21 C26 119.6(5) . . ? 
C22 C21 C20 119.7(5) . . ? 
C26 C21 C20 120.6(5) . . ? 
C21 C22 C23 120.8(6) . . ? 
C21 C22 H22 119.6 . . ? 
C23 C22 H22 119.6 . . ? 
C24 C23 C22 119.0(7) . . ? 
C24 C23 H23 120.5 . . ? 
C22 C23 H23 120.5 . . ? 
C25 C24 C23 120.2(6) . . ? 
C25 C24 H24 119.9 . . ? 
C23 C24 H24 119.9 . . ? 
C24 C25 C26 121.3(6) . . ? 
C24 C25 H25 119.3 . . ? 
C26 C25 H25 119.3 . . ? 
C25 C26 C21 118.9(6) . . ? 
C25 C26 H26 120.5 . . ? 
C21 C26 H26 120.5 . . ? 
  
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 
C5 O1 C1 O2 167.3(5) . . . . ? 
C5 O1 C1 C2 -13.6(6) . . . . ? 
O2 C1 C2 C6 -4.1(7) . . . . ? 
O1 C1 C2 C6 176.9(4) . . . . ? 
O2 C1 C2 C3 -133.9(5) . . . . ? 
O1 C1 C2 C3 47.1(6) . . . . ? 
C1 C2 C3 C4 -52.6(5) . . . . ? 
C6 C2 C3 C4 178.2(5) . . . . ? 
C1 C2 C3 C13 73.8(5) . . . . ? 
C6 C2 C3 C13 -55.5(6) . . . . ? 
C13 C3 C4 C5 -98.4(5) . . . . ? 
C2 C3 C4 C5 28.8(6) . . . . ? 
C13 C3 C4 C19 79.3(5) . . . . ? 
C2 C3 C4 C19 -153.6(4) . . . . ? 
C19 C4 C5 O1 -173.1(5) . . . . ? 
C3 C4 C5 O1 4.5(8) . . . . ? 
C1 O1 C5 C4 -14.2(8) . . . . ? 
C1 C2 C6 C7 78.0(6) . . . . ? 
C3 C2 C6 C7 -154.0(5) . . . . ? 
C2 C6 C7 C8 73.7(15) . . . . ? 
C2 C6 C7 C12' -109.9(11) . . . . ? 
C2 C6 C7 C8' 74.2(11) . . . . ? 
C2 C6 C7 C12 -104.0(11) . . . . ? 
C12' C7 C8 C9 0(2) . . . . ? 
C8' C7 C8 C9 176(8) . . . . ? 
C12 C7 C8 C9 -5(3) . . . . ? 
C6 C7 C8 C9 177.1(14) . . . . ? 
C12' C7 C8 Cl1 -177.1(15) . . . . ? 
C8' C7 C8 Cl1 -1(5) . . . . ? 
C12 C7 C8 Cl1 177.7(14) . . . . ? 
C6 C7 C8 Cl1 0(2) . . . . ? 
C7 C8 C9 C10 3(3) . . . . ? 
Cl1 C8 C9 C10 179.6(16) . . . . ? 
C8 C9 C10 C11 -3(3) . . . . ? 
C9 C10 C11 C12 5(3) . . . . ? 
C10 C11 C12 C7 -8(3) . . . . ? 
C8 C7 C12 C11 8(3) . . . . ? 
C12' C7 C12 C11 -10(4) . . . . ? 
C8' C7 C12 C11 8(3) . . . . ? 
C6 C7 C12 C11 -174.4(15) . . . . ? 
C8 C7 C8' C9' -3(4) . . . . ? 
C12' C7 C8' C9' 2(2) . . . . ? 
C12 C7 C8' C9' -4(3) . . . . ? 
C6 C7 C8' C9' 177.9(14) . . . . ? 
C8 C7 C8' Cl1' -179(7) . . . . ? 
C12' C7 C8' Cl1' -174.3(15) . . . . ? 
C12 C7 C8' Cl1' 179.7(16) . . . . ? 
C6 C7 C8' Cl1' 2(2) . . . . ? 
C7 C8' C9' C10' -1(3) . . . . ? 
Cl1' C8' C9' C10' 175.7(14) . . . . ? 
C8' C9' C10' C11' 3(2) . . . . ? 
C9' C10' C11' C12' -7(3) . . . . ? 
C8 C7 C12' C11' -4(2) . . . . ? 
C8' C7 C12' C11' -5(2) . . . . ? 
C12 C7 C12' C11' 160(6) . . . . ? 
C6 C7 C12' C11' 179.2(13) . . . . ? 
C10' C11' C12' C7 8(3) . . . . ? 
C4 C3 C13 C18 37.4(6) . . . . ? 
C2 C3 C13 C18 -86.0(6) . . . . ? 
C4 C3 C13 C14 -142.0(4) . . . . ? 
C2 C3 C13 C14 94.6(5) . . . . ? 
C18 C13 C14 C15 0.4(7) . . . . ? 
C3 C13 C14 C15 179.9(4) . . . . ? 
C13 C14 C15 C16 -1.1(8) . . . . ? 
C14 C15 C16 C17 2.2(9) . . . . ? 
C15 C16 C17 C18 -2.7(9) . . . . ? 
C16 C17 C18 C13 2.0(9) . . . . ? 
C14 C13 C18 C17 -0.9(8) . . . . ? 
C3 C13 C18 C17 179.7(4) . . . . ? 
C5 C4 C19 C20 172(5) . . . . ? 
C3 C4 C19 C20 -5(5) . . . . ? 
C4 C19 C20 C21 -66(17) . . . . ? 
C19 C20 C21 C22 71(14) . . . . ? 
C19 C20 C21 C26 -106(14) . . . . ? 
C26 C21 C22 C23 -1.2(9) . . . . ? 
C20 C21 C22 C23 -178.1(6) . . . . ? 
C21 C22 C23 C24 0.9(10) . . . . ? 
C22 C23 C24 C25 -1.3(11) . . . . ? 
C23 C24 C25 C26 2.0(11) . . . . ? 
C24 C25 C26 C21 -2.3(9) . . . . ? 
C22 C21 C26 C25 1.8(8) . . . . ? 
C20 C21 C26 C25 178.8(6) . . . . ? 
  
_diffrn_measured_fraction_theta_max    0.997 
_diffrn_reflns_theta_full              66.00 
_diffrn_measured_fraction_theta_full   0.997 
_refine_diff_density_max    0.196 
_refine_diff_density_min   -0.228 
_refine_diff_density_rms    0.046 
