# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_Ko_71
_database_code_depnum_ccdc_archive 'CCDC 1497742'

_audit_update_record             
;
2016-08-04 deposited with the CCDC.
2016-09-16 downloaded from the CCDC.
;
_publcif_datablock.id            {3c7bc3d3-bf32-4ef7-81ec-d1f3487c47a4}

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        K071
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H23 N O5'
_chemical_formula_sum            'C19 H23 N O5'
_chemical_formula_weight         345.38

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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+1/2, -z'

_cell_length_a                   12.0073(4)
_cell_length_b                   5.9225(2)
_cell_length_c                   13.6415(4)
_cell_angle_alpha                90
_cell_angle_beta                 109.5840(10)
_cell_angle_gamma                90
_cell_volume                     913.97(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    114
_cell_measurement_theta_min      9.57
_cell_measurement_theta_max      38.0

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_F_000             368
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.319
_exptl_crystal_size_mid          0.315
_exptl_crystal_size_min          0.132
_exptl_absorpt_coefficient_mu    0.748
_shelx_estimated_absorpt_T_min   0.796
_shelx_estimated_absorpt_T_max   0.908
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6730
_exptl_absorpt_correction_T_max  0.7530
_exptl_absorpt_process_details   'SADABS (Bruker, 2010)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX CCD detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            30012
_diffrn_reflns_av_unetI/netI     0.0134
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.439
_diffrn_reflns_theta_max         68.136
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_point_group_measured_fraction_full 0.979
_reflns_number_total             3241
_reflns_number_gt                3228
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.777
_reflns_Friedel_fraction_max     0.953
_reflns_Friedel_fraction_full    0.959

_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       'APEX2 (Bruker, 2010)'
_computing_cell_refinement       'SAINT (Bruker, 2010)'
_computing_data_reduction        'SAINT (Bruker, 2010)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0626P)²+0.0854P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.054(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Flack x determined using 1404 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.03(2)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         3241
_refine_ls_number_parameters     242
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0402
_refine_ls_wR_factor_ref         0.0981
_refine_ls_wR_factor_gt          0.0980
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_restrained_S_all      1.088
_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_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 0.57913(13) 0.6712(4) 0.28747(12) 0.0656(5) Uani 1 1 d . . . . .
O2 O 1.19556(17) 0.5616(5) 1.06234(13) 0.0810(6) Uani 1 1 d . . . . .
O3 O 0.76963(15) 0.7010(4) 0.38752(14) 0.0803(6) Uani 1 1 d . . . . .
O4 O 0.45660(13) 0.3460(3) 0.33853(12) 0.0609(4) Uani 1 1 d . . . . .
O5 O 0.55152(15) 0.2200(3) 0.49764(13) 0.0654(5) Uani 1 1 d . . . . .
N1 N 0.64426(14) 0.4785(3) 0.43634(12) 0.0426(4) Uani 1 1 d . . . . .
C1 C 0.6724(4) 0.6820(6) 0.1533(3) 0.1003(12) Uani 1 1 d . . . . .
H1A H 0.7499 0.6785 0.2048 0.150 Uiso 1 1 calc R U . . .
H1B H 0.6753 0.7621 0.0930 0.150 Uiso 1 1 calc R U . . .
H1C H 0.6456 0.5304 0.1341 0.150 Uiso 1 1 calc R U . . .
C2 C 0.5884(2) 0.7998(4) 0.19716(17) 0.0565(6) Uani 1 1 d . . . . .
C3 C 0.67210(17) 0.6255(4) 0.36819(16) 0.0472(5) Uani 1 1 d . . . . .
C4 C 0.73319(17) 0.4131(4) 0.53752(14) 0.0449(5) Uani 1 1 d . . . . .
C5 C 0.79773(19) 0.6101(4) 0.60714(17) 0.0543(5) Uani 1 1 d . . . . .
H5A H 0.7801 0.6113 0.6715 0.065 Uiso 1 1 calc R U . . .
H5B H 0.7727 0.7529 0.5718 0.065 Uiso 1 1 calc R U . . .
C6 C 0.93159(19) 0.5749(4) 0.63001(16) 0.0526(5) Uani 1 1 d . . . . .
H6 H 0.9619 0.6973 0.5976 0.063 Uiso 1 1 calc R U . . .
C7 C 1.00202(17) 0.5677(4) 0.74553(15) 0.0472(5) Uani 1 1 d . . . . .
C8 C 0.9917(2) 0.3883(5) 0.80654(17) 0.0592(6) Uani 1 1 d . . . . .
H8 H 0.9412 0.2701 0.7756 0.071 Uiso 1 1 calc R U . . .
C9 C 1.0543(2) 0.3779(5) 0.91276(17) 0.0603(6) Uani 1 1 d . . . . .
H9 H 1.0458 0.2545 0.9518 0.072 Uiso 1 1 calc R U . . .
C10 C 1.12868(18) 0.5525(5) 0.95910(16) 0.0550(5) Uani 1 1 d . . . . .
C11 C 1.2008(3) 0.3667(8) 1.1235(2) 0.0954(11) Uani 1 1 d . . . . .
H11A H 1.1241 0.3374 1.1282 0.143 Uiso 1 1 calc R U . . .
H11B H 1.2566 0.3905 1.1920 0.143 Uiso 1 1 calc R U . . .
H11C H 1.2253 0.2399 1.0919 0.143 Uiso 1 1 calc R U . . .
C12 C 0.6311(5) 1.0335(6) 0.2279(3) 0.1057(13) Uani 1 1 d . . . . .
H12A H 0.7105 1.0284 0.2759 0.159 Uiso 1 1 calc R U . . .
H12B H 0.5808 1.1055 0.2603 0.159 Uiso 1 1 calc R U . . .
H12C H 0.6294 1.1173 0.1672 0.159 Uiso 1 1 calc R U . . .
C13 C 0.54146(17) 0.3517(4) 0.41492(15) 0.0472(5) Uani 1 1 d . . . . .
C14 C 0.6521(2) 0.2874(5) 0.58381(18) 0.0638(6) Uani 1 1 d . . . . .
H14A H 0.6920 0.1564 0.6226 0.077 Uiso 1 1 calc R U . . .
H14B H 0.6283 0.3851 0.6303 0.077 Uiso 1 1 calc R U . . .
C15 C 0.8322(2) 0.2720(4) 0.52533(16) 0.0552(5) Uani 1 1 d . . . . .
H15 H 0.8205 0.1392 0.4868 0.066 Uiso 1 1 calc R U . . .
C16 C 0.93663(19) 0.3573(5) 0.57514(16) 0.0607(6) Uani 1 1 d . . . . .
H16 H 1.0070 0.2897 0.5764 0.073 Uiso 1 1 calc R U . . .
C17 C 1.1390(2) 0.7347(5) 0.90017(18) 0.0645(6) Uani 1 1 d . . . . .
H17 H 1.1882 0.8542 0.9316 0.077 Uiso 1 1 calc R U . . .
C18 C 1.0767(2) 0.7417(5) 0.79452(17) 0.0588(6) Uani 1 1 d . . . . .
H18 H 1.0852 0.8657 0.7558 0.071 Uiso 1 1 calc R U . . .
C19A C 0.4574(11) 0.879(5) 0.1483(17) 0.088(5) Uani 0.38(3) 1 d . . P A 1
H19A H 0.4470 0.9537 0.0833 0.131 Uiso 0.38(3) 1 calc R U P A 1
H19B H 0.4389 0.9826 0.1949 0.131 Uiso 0.38(3) 1 calc R U P A 1
H19C H 0.4058 0.7511 0.1366 0.131 Uiso 0.38(3) 1 calc R U P A 1
C19B C 0.4675(7) 0.756(4) 0.1145(8) 0.092(4) Uani 0.62(3) 1 d . . P A 2
H19D H 0.4627 0.8342 0.0516 0.138 Uiso 0.62(3) 1 calc R U P A 2
H19E H 0.4062 0.8085 0.1393 0.138 Uiso 0.62(3) 1 calc R U P A 2
H19F H 0.4579 0.5966 0.1007 0.138 Uiso 0.62(3) 1 calc R U P 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
O1 C3 1.307(2) . ?
O1 C2 1.484(3) . ?
O2 C10 1.369(3) . ?
O2 C11 1.413(5) . ?
O3 C3 1.198(3) . ?
O4 C13 1.189(2) . ?
O5 C13 1.343(3) . ?
O5 C14 1.431(3) . ?
N1 C13 1.390(3) . ?
N1 C3 1.394(3) . ?
N1 C4 1.486(2) . ?
C1 C2 1.506(4) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C12 1.487(5) . ?
C2 C19B 1.533(8) . ?
C2 C19A 1.562(15) . ?
C4 C15 1.507(3) . ?
C4 C14 1.521(3) . ?
C4 C5 1.540(3) . ?
C5 C6 1.545(3) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C16 1.502(4) . ?
C6 C7 1.519(3) . ?
C6 H6 0.9800 . ?
C7 C8 1.380(3) . ?
C7 C18 1.382(3) . ?
C8 C9 1.392(3) . ?
C8 H8 0.9300 . ?
C9 C10 1.374(4) . ?
C9 H9 0.9300 . ?
C10 C17 1.376(4) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.311(4) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 C18 1.384(3) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19A H19A 0.9600 . ?
C19A H19B 0.9600 . ?
C19A H19C 0.9600 . ?
C19B H19D 0.9600 . ?
C19B H19E 0.9600 . ?
C19B H19F 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
C3 O1 C2 121.70(16) . . ?
C10 O2 C11 118.0(3) . . ?
C13 O5 C14 109.96(17) . . ?
C13 N1 C3 126.31(16) . . ?
C13 N1 C4 111.43(17) . . ?
C3 N1 C4 121.62(16) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C12 111.0(2) . . ?
O1 C2 C1 109.8(2) . . ?
C12 C2 C1 109.2(3) . . ?
O1 C2 C19B 102.0(3) . . ?
C12 C2 C19B 121.2(8) . . ?
C1 C2 C19B 102.9(8) . . ?
O1 C2 C19A 99.5(5) . . ?
C12 C2 C19A 92.4(11) . . ?
C1 C2 C19A 133.1(12) . . ?
O3 C3 O1 127.2(2) . . ?
O3 C3 N1 121.47(19) . . ?
O1 C3 N1 111.32(16) . . ?
N1 C4 C15 112.96(15) . . ?
N1 C4 C14 98.78(16) . . ?
C15 C4 C14 114.4(2) . . ?
N1 C4 C5 115.58(17) . . ?
C15 C4 C5 103.64(17) . . ?
C14 C4 C5 112.00(18) . . ?
C4 C5 C6 107.25(18) . . ?
C4 C5 H5A 110.3 . . ?
C6 C5 H5A 110.3 . . ?
C4 C5 H5B 110.3 . . ?
C6 C5 H5B 110.3 . . ?
H5A C5 H5B 108.5 . . ?
C16 C6 C7 113.1(2) . . ?
C16 C6 C5 103.18(18) . . ?
C7 C6 C5 113.13(17) . . ?
C16 C6 H6 109.1 . . ?
C7 C6 H6 109.1 . . ?
C5 C6 H6 109.1 . . ?
C8 C7 C18 117.19(19) . . ?
C8 C7 C6 121.1(2) . . ?
C18 C7 C6 121.7(2) . . ?
C7 C8 C9 122.4(2) . . ?
C7 C8 H8 118.8 . . ?
C9 C8 H8 118.8 . . ?
C10 C9 C8 119.1(2) . . ?
C10 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
O2 C10 C9 124.7(2) . . ?
O2 C10 C17 115.7(2) . . ?
C9 C10 C17 119.55(19) . . ?
O2 C11 H11A 109.5 . . ?
O2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
O2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C2 C12 H12A 109.5 . . ?
C2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O4 C13 O5 121.95(19) . . ?
O4 C13 N1 129.7(2) . . ?
O5 C13 N1 108.29(17) . . ?
O5 C14 C4 106.09(16) . . ?
O5 C14 H14A 110.5 . . ?
C4 C14 H14A 110.5 . . ?
O5 C14 H14B 110.5 . . ?
C4 C14 H14B 110.5 . . ?
H14A C14 H14B 108.7 . . ?
C16 C15 C4 112.4(2) . . ?
C16 C15 H15 123.8 . . ?
C4 C15 H15 123.8 . . ?
C15 C16 C6 113.5(2) . . ?
C15 C16 H16 123.3 . . ?
C6 C16 H16 123.3 . . ?
C10 C17 C18 120.6(2) . . ?
C10 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C7 C18 C17 121.2(2) . . ?
C7 C18 H18 119.4 . . ?
C17 C18 H18 119.4 . . ?
C2 C19A H19A 109.5 . . ?
C2 C19A H19B 109.5 . . ?
H19A C19A H19B 109.5 . . ?
C2 C19A H19C 109.5 . . ?
H19A C19A H19C 109.5 . . ?
H19B C19A H19C 109.5 . . ?
C2 C19B H19D 109.5 . . ?
C2 C19B H19E 109.5 . . ?
H19D C19B H19E 109.5 . . ?
C2 C19B H19F 109.5 . . ?
H19D C19B H19F 109.5 . . ?
H19E C19B H19F 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
C3 O1 C2 C12 -63.9(4) . . . . ?
C3 O1 C2 C1 57.0(3) . . . . ?
C3 O1 C2 C19B 165.6(9) . . . . ?
C3 O1 C2 C19A -160.2(13) . . . . ?
C2 O1 C3 O3 10.8(4) . . . . ?
C2 O1 C3 N1 -172.0(2) . . . . ?
C13 N1 C3 O3 -168.4(3) . . . . ?
C4 N1 C3 O3 1.6(3) . . . . ?
C13 N1 C3 O1 14.2(3) . . . . ?
C4 N1 C3 O1 -175.80(18) . . . . ?
C13 N1 C4 C15 104.3(2) . . . . ?
C3 N1 C4 C15 -67.0(3) . . . . ?
C13 N1 C4 C14 -16.9(2) . . . . ?
C3 N1 C4 C14 171.7(2) . . . . ?
C13 N1 C4 C5 -136.54(19) . . . . ?
C3 N1 C4 C5 52.1(3) . . . . ?
N1 C4 C5 C6 -123.04(18) . . . . ?
C15 C4 C5 C6 1.1(2) . . . . ?
C14 C4 C5 C6 124.9(2) . . . . ?
C4 C5 C6 C16 -1.6(2) . . . . ?
C4 C5 C6 C7 -124.1(2) . . . . ?
C16 C6 C7 C8 -47.2(3) . . . . ?
C5 C6 C7 C8 69.6(3) . . . . ?
C16 C6 C7 C18 134.3(2) . . . . ?
C5 C6 C7 C18 -108.8(3) . . . . ?
C18 C7 C8 C9 -0.9(4) . . . . ?
C6 C7 C8 C9 -179.4(2) . . . . ?
C7 C8 C9 C10 0.3(4) . . . . ?
C11 O2 C10 C9 8.5(4) . . . . ?
C11 O2 C10 C17 -171.6(3) . . . . ?
C8 C9 C10 O2 -179.4(2) . . . . ?
C8 C9 C10 C17 0.7(4) . . . . ?
C14 O5 C13 O4 -170.5(2) . . . . ?
C14 O5 C13 N1 11.0(3) . . . . ?
C3 N1 C13 O4 -2.7(4) . . . . ?
C4 N1 C13 O4 -173.6(2) . . . . ?
C3 N1 C13 O5 175.73(19) . . . . ?
C4 N1 C13 O5 4.9(2) . . . . ?
C13 O5 C14 C4 -22.0(3) . . . . ?
N1 C4 C14 O5 22.3(2) . . . . ?
C15 C4 C14 O5 -97.9(2) . . . . ?
C5 C4 C14 O5 144.6(2) . . . . ?
N1 C4 C15 C16 125.7(2) . . . . ?
C14 C4 C15 C16 -122.3(2) . . . . ?
C5 C4 C15 C16 -0.1(3) . . . . ?
C4 C15 C16 C6 -1.0(3) . . . . ?
C7 C6 C16 C15 124.2(2) . . . . ?
C5 C6 C16 C15 1.6(3) . . . . ?
O2 C10 C17 C18 179.0(2) . . . . ?
C9 C10 C17 C18 -1.1(4) . . . . ?
C8 C7 C18 C17 0.5(4) . . . . ?
C6 C7 C18 C17 179.0(2) . . . . ?
C10 C17 C18 C7 0.5(4) . . . . ?

_refine_diff_density_max         0.254
_refine_diff_density_min         -0.242
_refine_diff_density_rms         0.072

