# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2019

 
data_ja 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C20 H20 F2 N2 O3' 
_chemical_formula_weight          374.38 
 
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' 
 'F'  'F'   0.0171   0.0103 
 '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                    11.6732(7) 
_cell_length_b                    16.7833(11) 
_cell_length_c                    10.3207(7) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  115.021(2) 
_cell_angle_gamma                 90.00 
_cell_volume                      1832.2(2) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     4220  
_cell_measurement_theta_min       3.10 
_cell_measurement_theta_max       27.54  
 
_exptl_crystal_description        BAR 
_exptl_crystal_colour            COLORLESS 
_exptl_crystal_size_max           0.3 
_exptl_crystal_size_mid           0.2 
_exptl_crystal_size_min           0.2 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.357 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              784 
_exptl_absorpt_coefficient_mu     0.105 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(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   'CCD area detector' 
_diffrn_measurement_method         'phi and omega scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             28655 
_diffrn_reflns_av_R_equivalents   0.0305 
_diffrn_reflns_av_sigmaI/netI     0.0226 
_diffrn_reflns_limit_h_min        -15 
_diffrn_reflns_limit_h_max        13 
_diffrn_reflns_limit_k_min        -21 
_diffrn_reflns_limit_k_max        21 
_diffrn_reflns_limit_l_min        -13 
_diffrn_reflns_limit_l_max        13 
_diffrn_reflns_theta_min          3.10 
_diffrn_reflns_theta_max          27.54 
_reflns_number_total              4220 
_reflns_number_gt                 3156 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_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)+(0.0921P)²+0.9712P] 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      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          4220 
_refine_ls_number_parameters      242 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0871 
_refine_ls_R_factor_gt            0.0656 
_refine_ls_wR_factor_ref          0.1894 
_refine_ls_wR_factor_gt           0.1733 
_refine_ls_goodness_of_fit_ref    1.055 
_refine_ls_restrained_S_all       1.055 
_refine_ls_shift/su_max           0.007 
_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 
F2 F 0.72636(17) 0.02157(8) 0.81778(15) 0.0663(5) Uani 1 1 d . A . 
O3 O 0.49188(17) -0.09814(10) 1.06957(17) 0.0530(4) Uani 1 1 d . . . 
N2 N 0.56375(15) -0.10712(9) 0.77210(17) 0.0332(4) Uani 1 1 d . . . 
C20 C 0.69937(18) -0.11894(12) 0.8063(2) 0.0349(4) Uani 1 1 d . A . 
H20A H 0.7297 -0.1661 0.8674 0.042 Uiso 1 1 calc R . . 
F1 F 0.89422(15) -0.05281(12) 0.88572(18) 0.0791(6) Uani 1 1 d . A . 
N1 N 0.54732(17) -0.06956(10) 0.88745(18) 0.0386(4) Uani 1 1 d . . . 
H1A H 0.5586 -0.0193 0.9043 0.046 Uiso 1 1 calc R . . 
C19 C 0.3690(2) -0.18788(12) 0.6370(2) 0.0385(5) Uani 1 1 d . . . 
C18 C 0.50032(19) -0.18646(11) 0.7585(2) 0.0340(4) Uani 1 1 d . . . 
H18A H 0.5518 -0.2272 0.7404 0.041 Uiso 1 1 calc R . . 
C17 C 0.71354(19) -0.13343(11) 0.6687(2) 0.0348(4) Uani 1 1 d . . . 
C16 C 0.5036(2) -0.20130(12) 0.9072(2) 0.0406(5) Uani 1 1 d . . . 
H16A H 0.4273 -0.2280 0.8996 0.049 Uiso 1 1 calc R . . 
H16B H 0.5763 -0.2333 0.9660 0.049 Uiso 1 1 calc R . . 
C15 C 0.6418(2) -0.09180(13) 0.5455(2) 0.0456(5) Uani 1 1 d . . . 
H15A H 0.5808 -0.0560 0.5449 0.055 Uiso 1 1 calc R . . 
O2 O 0.7966(2) 0.02873(12) 1.08530(19) 0.0666(5) Uani 1 1 d . . . 
C14 C 0.51277(19) -0.11884(12) 0.9677(2) 0.0382(5) Uani 1 1 d . . . 
C13 C 0.8035(2) -0.18683(14) 0.6669(2) 0.0445(5) Uani 1 1 d . . . 
H13A H 0.8513 -0.2163 0.7483 0.053 Uiso 1 1 calc R . . 
O1 O 0.8270(2) -0.10257(13) 1.1163(2) 0.0838(7) Uani 1 1 d . . . 
C12 C 0.8030(2) -0.04367(16) 1.0446(2) 0.0527(6) Uani 1 1 d . A . 
C11 C 0.3225(2) -0.12647(15) 0.5396(2) 0.0514(6) Uani 1 1 d . . . 
H11A H 0.3707 -0.0807 0.5511 0.062 Uiso 1 1 calc R . . 
C10 C 0.8226(2) -0.19647(15) 0.5436(3) 0.0554(6) Uani 1 1 d . . . 
H10A H 0.8843 -0.2315 0.5436 0.067 Uiso 1 1 calc R . . 
C9 C 0.7509(3) -0.15466(15) 0.4224(3) 0.0586(7) Uani 1 1 d . . . 
H9A H 0.7638 -0.1613 0.3400 0.070 Uiso 1 1 calc R . . 
C8 C 0.6602(3) -0.10309(15) 0.4227(2) 0.0572(6) Uani 1 1 d . . . 
H8A H 0.6105 -0.0754 0.3398 0.069 Uiso 1 1 calc R . . 
C7 C 0.7776(2) -0.04712(14) 0.8859(2) 0.0477(5) Uani 1 1 d . . . 
C6 C 0.2954(3) -0.25556(16) 0.6164(3) 0.0610(7) Uani 1 1 d . . . 
H6A H 0.3250 -0.2980 0.6800 0.073 Uiso 1 1 calc R . . 
C4 C 0.2049(3) -0.1323(2) 0.4248(3) 0.0729(8) Uani 1 1 d . . . 
H4A H 0.1753 -0.0907 0.3596 0.088 Uiso 1 1 calc R . . 
C3 C 0.1323(3) -0.1987(2) 0.4067(3) 0.0833(10) Uani 1 1 d . . . 
H3A H 0.0527 -0.2019 0.3308 0.100 Uiso 1 1 calc R . . 
C2 C 0.1777(3) -0.2604(2) 0.5013(4) 0.0840(10) Uani 1 1 d . . . 
H2A H 0.1291 -0.3061 0.4884 0.101 Uiso 1 1 calc R . . 
C5 C 0.7970(9) 0.0515(5) 1.2177(9) 0.0770(17) Uiso 0.470(4) 1 d P A 1 
H5A H 0.7770 0.0059 1.2621 0.092 Uiso 0.470(4) 1 calc PR A 1 
H5B H 0.7336 0.0922 1.2022 0.092 Uiso 0.470(4) 1 calc PR A 1 
C1 C 0.9191(7) 0.0815(5) 1.3088(8) 0.0770(17) Uiso 0.470(4) 1 d P A 1 
H1B H 0.9194 0.0983 1.3979 0.116 Uiso 0.470(4) 1 calc PR A 1 
H1C H 0.9389 0.1260 1.2636 0.116 Uiso 0.470(4) 1 calc PR A 1 
H1D H 0.9811 0.0404 1.3263 0.116 Uiso 0.470(4) 1 calc PR A 1 
C5' C 0.8266(5) 0.0334(3) 1.2436(6) 0.0456(14) Uiso 0.470(4) 1 d P A 2 
H5'A H 0.7893 0.0819 1.2596 0.055 Uiso 0.470(4) 1 calc PR A 2 
H5'B H 0.7854 -0.0110 1.2666 0.055 Uiso 0.470(4) 1 calc PR A 2 
C1' C 0.9444(7) 0.0326(5) 1.3317(8) 0.0744(18) Uiso 0.470(4) 1 d P A 2 
H1'A H 0.9520 0.0355 1.4279 0.112 Uiso 0.470(4) 1 calc PR A 2 
H1'B H 0.9864 0.0776 1.3134 0.112 Uiso 0.470(4) 1 calc PR A 2 
H1'C H 0.9827 -0.0157 1.3195 0.112 Uiso 0.470(4) 1 calc PR A 2 
 
 
_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 
F2 C7 1.351(3) . ? 
O3 C14 1.226(2) . ? 
N2 N1 1.430(2) . ? 
N2 C20 1.483(3) . ? 
N2 C18 1.501(2) . ? 
C20 C17 1.517(2) . ? 
C20 C7 1.525(3) . ? 
C20 H20A 0.9800 . ? 
F1 C7 1.366(3) . ? 
N1 C14 1.347(3) . ? 
N1 H1A 0.8600 . ? 
C19 C11 1.381(3) . ? 
C19 C6 1.385(3) . ? 
C19 C18 1.515(3) . ? 
C18 C16 1.539(3) . ? 
C18 H18A 0.9800 . ? 
C17 C15 1.381(3) . ? 
C17 C13 1.387(3) . ? 
C16 C14 1.504(3) . ? 
C16 H16A 0.9700 . ? 
C16 H16B 0.9700 . ? 
C15 C8 1.385(3) . ? 
C15 H15A 0.9300 . ? 
O2 C12 1.298(3) . ? 
O2 C5 1.417(9) . ? 
O2 C5' 1.521(6) . ? 
C13 C10 1.390(3) . ? 
C13 H13A 0.9300 . ? 
O1 C12 1.195(3) . ? 
C12 C7 1.537(3) . ? 
C11 C4 1.387(4) . ? 
C11 H11A 0.9300 . ? 
C10 C9 1.368(4) . ? 
C10 H10A 0.9300 . ? 
C9 C8 1.369(4) . ? 
C9 H9A 0.9300 . ? 
C8 H8A 0.9300 . ? 
C6 C2 1.387(4) . ? 
C6 H6A 0.9300 . ? 
C4 C3 1.364(5) . ? 
C4 H4A 0.9300 . ? 
C3 C2 1.366(5) . ? 
C3 H3A 0.9300 . ? 
C2 H2A 0.9300 . ? 
C5 C1 1.427(11) . ? 
C5 H5A 0.9700 . ? 
C5 H5B 0.9700 . ? 
C1 H1B 0.9600 . ? 
C1 H1C 0.9600 . ? 
C1 H1D 0.9600 . ? 
C5' C1' 1.289(9) . ? 
C5' H5'A 0.9700 . ? 
C5' H5'B 0.9700 . ? 
C1' H1'A 0.9600 . ? 
C1' H1'B 0.9600 . ? 
C1' H1'C 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 
N1 N2 C20 111.52(14) . . ? 
N1 N2 C18 103.56(13) . . ? 
C20 N2 C18 109.78(14) . . ? 
N2 C20 C17 109.09(15) . . ? 
N2 C20 C7 110.97(17) . . ? 
C17 C20 C7 110.70(16) . . ? 
N2 C20 H20A 108.7 . . ? 
C17 C20 H20A 108.7 . . ? 
C7 C20 H20A 108.7 . . ? 
C14 N1 N2 114.93(16) . . ? 
C14 N1 H1A 122.5 . . ? 
N2 N1 H1A 122.5 . . ? 
C11 C19 C6 118.3(2) . . ? 
C11 C19 C18 122.60(19) . . ? 
C6 C19 C18 119.0(2) . . ? 
N2 C18 C19 112.20(15) . . ? 
N2 C18 C16 104.30(15) . . ? 
C19 C18 C16 114.33(16) . . ? 
N2 C18 H18A 108.6 . . ? 
C19 C18 H18A 108.6 . . ? 
C16 C18 H18A 108.6 . . ? 
C15 C17 C13 118.82(19) . . ? 
C15 C17 C20 121.16(18) . . ? 
C13 C17 C20 119.96(18) . . ? 
C14 C16 C18 103.44(15) . . ? 
C14 C16 H16A 111.1 . . ? 
C18 C16 H16A 111.1 . . ? 
C14 C16 H16B 111.1 . . ? 
C18 C16 H16B 111.1 . . ? 
H16A C16 H16B 109.0 . . ? 
C17 C15 C8 120.3(2) . . ? 
C17 C15 H15A 119.8 . . ? 
C8 C15 H15A 119.8 . . ? 
C12 O2 C5 126.0(4) . . ? 
C12 O2 C5' 112.2(3) . . ? 
C5 O2 C5' 17.2(4) . . ? 
O3 C14 N1 124.97(19) . . ? 
O3 C14 C16 127.74(19) . . ? 
N1 C14 C16 107.29(16) . . ? 
C17 C13 C10 120.2(2) . . ? 
C17 C13 H13A 119.9 . . ? 
C10 C13 H13A 119.9 . . ? 
O1 C12 O2 127.2(2) . . ? 
O1 C12 C7 121.2(2) . . ? 
O2 C12 C7 111.6(2) . . ? 
C19 C11 C4 120.7(2) . . ? 
C19 C11 H11A 119.6 . . ? 
C4 C11 H11A 119.6 . . ? 
C9 C10 C13 120.3(2) . . ? 
C9 C10 H10A 119.8 . . ? 
C13 C10 H10A 119.8 . . ? 
C10 C9 C8 119.7(2) . . ? 
C10 C9 H9A 120.1 . . ? 
C8 C9 H9A 120.1 . . ? 
C9 C8 C15 120.6(2) . . ? 
C9 C8 H8A 119.7 . . ? 
C15 C8 H8A 119.7 . . ? 
F2 C7 F1 106.32(19) . . ? 
F2 C7 C20 111.23(19) . . ? 
F1 C7 C20 108.30(18) . . ? 
F2 C7 C12 111.45(19) . . ? 
F1 C7 C12 105.08(19) . . ? 
C20 C7 C12 113.93(18) . . ? 
C19 C6 C2 120.3(3) . . ? 
C19 C6 H6A 119.9 . . ? 
C2 C6 H6A 119.9 . . ? 
C3 C4 C11 120.6(3) . . ? 
C3 C4 H4A 119.7 . . ? 
C11 C4 H4A 119.7 . . ? 
C4 C3 C2 119.3(3) . . ? 
C4 C3 H3A 120.3 . . ? 
C2 C3 H3A 120.3 . . ? 
C3 C2 C6 120.8(3) . . ? 
C3 C2 H2A 119.6 . . ? 
C6 C2 H2A 119.6 . . ? 
O2 C5 C1 109.0(7) . . ? 
O2 C5 H5A 109.9 . . ? 
C1 C5 H5A 109.9 . . ? 
O2 C5 H5B 109.9 . . ? 
C1 C5 H5B 109.9 . . ? 
H5A C5 H5B 108.3 . . ? 
C5 C1 H1B 109.5 . . ? 
C5 C1 H1C 109.5 . . ? 
H1B C1 H1C 109.5 . . ? 
C5 C1 H1D 109.5 . . ? 
H1B C1 H1D 109.5 . . ? 
H1C C1 H1D 109.5 . . ? 
C1' C5' O2 116.7(5) . . ? 
C1' C5' H5'A 108.1 . . ? 
O2 C5' H5'A 108.1 . . ? 
C1' C5' H5'B 108.1 . . ? 
O2 C5' H5'B 108.1 . . ? 
H5'A C5' H5'B 107.3 . . ? 
C5' C1' H1'A 109.5 . . ? 
C5' C1' H1'B 109.5 . . ? 
H1'A C1' H1'B 109.5 . . ? 
C5' C1' H1'C 109.5 . . ? 
H1'A C1' H1'C 109.5 . . ? 
H1'B C1' H1'C 109.5 . . ? 
 
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 
N1 N2 C20 C17 -162.00(15) . . . . ? 
C18 N2 C20 C17 83.82(18) . . . . ? 
N1 N2 C20 C7 -39.8(2) . . . . ? 
C18 N2 C20 C7 -153.96(16) . . . . ? 
C20 N2 N1 C14 -102.62(19) . . . . ? 
C18 N2 N1 C14 15.4(2) . . . . ? 
N1 N2 C18 C19 100.36(17) . . . . ? 
C20 N2 C18 C19 -140.45(15) . . . . ? 
N1 N2 C18 C16 -23.91(19) . . . . ? 
C20 N2 C18 C16 95.28(17) . . . . ? 
C11 C19 C18 N2 8.5(3) . . . . ? 
C6 C19 C18 N2 -176.11(19) . . . . ? 
C11 C19 C18 C16 127.0(2) . . . . ? 
C6 C19 C18 C16 -57.6(3) . . . . ? 
N2 C20 C17 C15 39.2(2) . . . . ? 
C7 C20 C17 C15 -83.2(2) . . . . ? 
N2 C20 C17 C13 -143.56(18) . . . . ? 
C7 C20 C17 C13 94.1(2) . . . . ? 
N2 C18 C16 C14 24.4(2) . . . . ? 
C19 C18 C16 C14 -98.54(19) . . . . ? 
C13 C17 C15 C8 -0.3(3) . . . . ? 
C20 C17 C15 C8 176.9(2) . . . . ? 
N2 N1 C14 O3 -178.7(2) . . . . ? 
N2 N1 C14 C16 0.5(2) . . . . ? 
C18 C16 C14 O3 163.4(2) . . . . ? 
C18 C16 C14 N1 -15.8(2) . . . . ? 
C15 C17 C13 C10 1.5(3) . . . . ? 
C20 C17 C13 C10 -175.80(19) . . . . ? 
C5 O2 C12 O1 -10.7(6) . . . . ? 
C5' O2 C12 O1 1.2(4) . . . . ? 
C5 O2 C12 C7 170.3(5) . . . . ? 
C5' O2 C12 C7 -177.8(3) . . . . ? 
C6 C19 C11 C4 0.4(4) . . . . ? 
C18 C19 C11 C4 175.9(2) . . . . ? 
C17 C13 C10 C9 -1.4(3) . . . . ? 
C13 C10 C9 C8 0.1(4) . . . . ? 
C10 C9 C8 C15 1.1(4) . . . . ? 
C17 C15 C8 C9 -1.0(4) . . . . ? 
N2 C20 C7 F2 -49.9(2) . . . . ? 
C17 C20 C7 F2 71.4(2) . . . . ? 
N2 C20 C7 F1 -166.41(17) . . . . ? 
C17 C20 C7 F1 -45.1(2) . . . . ? 
N2 C20 C7 C12 77.1(2) . . . . ? 
C17 C20 C7 C12 -161.65(19) . . . . ? 
O1 C12 C7 F2 166.7(3) . . . . ? 
O2 C12 C7 F2 -14.2(3) . . . . ? 
O1 C12 C7 F1 -78.5(3) . . . . ? 
O2 C12 C7 F1 100.5(2) . . . . ? 
O1 C12 C7 C20 39.9(3) . . . . ? 
O2 C12 C7 C20 -141.1(2) . . . . ? 
C11 C19 C6 C2 -0.7(4) . . . . ? 
C18 C19 C6 C2 -176.3(3) . . . . ? 
C19 C11 C4 C3 0.6(5) . . . . ? 
C11 C4 C3 C2 -1.4(5) . . . . ? 
C4 C3 C2 C6 1.1(6) . . . . ? 
C19 C6 C2 C3 -0.1(5) . . . . ? 
C12 O2 C5 C1 103.2(7) . . . . ? 
C5' O2 C5 C1 63.0(16) . . . . ? 
C12 O2 C5' C1' 80.1(6) . . . . ? 
C5 O2 C5' C1' -134(2) . . . . ? 
 
_diffrn_measured_fraction_theta_max    0.997 
_diffrn_reflns_theta_full              27.54 
_diffrn_measured_fraction_theta_full   0.997 
_refine_diff_density_max    0.641 
_refine_diff_density_min   -0.442 
_refine_diff_density_rms    0.081 
