# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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. 
# 
#######################################################################

data_litao_0709
_database_code_depnum_ccdc_archive 'CCDC 1868145'
_audit_update_record             
;
2018-09-17 deposited with the CCDC.
2018-10-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C21 H27 N O4'
_chemical_formula_weight         357.44

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           ?
_symmetry_space_group_name_H-M   ?

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   7.3514(3)
_cell_length_b                   7.7395(3)
_cell_length_c                   16.0309(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.117(4)
_cell_angle_gamma                90.00
_cell_volume                     909.74(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.305
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             384
_exptl_absorpt_coefficient_mu    0.724
_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     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6770
_diffrn_reflns_av_R_equivalents  0.0197
_diffrn_reflns_av_sigmaI/netI    0.0260
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         5.53
_diffrn_reflns_theta_max         70.72
_reflns_number_total             3339
_reflns_number_gt                3296
_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)+(0.0407P)²+0.2458P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(18)
_refine_ls_number_reflns         3339
_refine_ls_number_parameters     239
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0332
_refine_ls_R_factor_gt           0.0327
_refine_ls_wR_factor_ref         0.0860
_refine_ls_wR_factor_gt          0.0855
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.072
_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 -0.63183(18) -1.02357(17) -0.05246(8) 0.0330(3) Uani 1 1 d . . .
O2 O -0.46858(15) -0.44449(18) -0.27522(7) 0.0293(3) Uani 1 1 d . . .
O3 O -0.7672(2) -0.4861(2) -0.59091(8) 0.0448(4) Uani 1 1 d . . .
O4 O -0.54324(19) -0.32242(19) -0.53067(8) 0.0364(3) Uani 1 1 d . . .
N1 N -0.8175(2) -1.0447(2) -0.08364(9) 0.0298(3) Uani 1 1 d . . .
C1 C -0.8794(2) -0.8969(2) -0.10567(9) 0.0220(3) Uani 1 1 d . . .
C1AA C -0.7853(2) -0.6613(2) -0.00867(10) 0.0262(4) Uani 1 1 d . . .
H1AA H -0.9084 -0.6190 -0.0119 0.039 Uiso 1 1 calc R . .
H1AB H -0.7024 -0.5667 0.0018 0.039 Uiso 1 1 calc R . .
H1AC H -0.7691 -0.7437 0.0360 0.039 Uiso 1 1 calc R . .
C2 C -1.0677(2) -0.8641(2) -0.14341(10) 0.0259(3) Uani 1 1 d . . .
H2A H -1.1383 -0.8044 -0.1035 0.031 Uiso 1 1 calc R . .
H2B H -1.1275 -0.9731 -0.1575 0.031 Uiso 1 1 calc R . .
C2AA C -1.0547(2) -0.4602(2) -0.15522(10) 0.0247(3) Uani 1 1 d . . .
H2AA H -1.0901 -0.5193 -0.1063 0.037 Uiso 1 1 calc R . .
H2AB H -1.1616 -0.4206 -0.1875 0.037 Uiso 1 1 calc R . .
H2AC H -0.9792 -0.3631 -0.1387 0.037 Uiso 1 1 calc R . .
C3 C -1.0582(2) -0.7533(2) -0.22280(10) 0.0236(3) Uani 1 1 d . . .
H3A H -1.1813 -0.7237 -0.2439 0.028 Uiso 1 1 calc R . .
H3B H -1.0039 -0.8214 -0.2653 0.028 Uiso 1 1 calc R . .
C3AA C -0.6361(2) -0.4686(2) -0.15250(9) 0.0219(3) Uani 1 1 d . . .
H3AA H -0.6943 -0.3957 -0.1130 0.026 Uiso 1 1 calc R . .
H3AB H -0.5177 -0.5022 -0.1270 0.026 Uiso 1 1 calc R . .
C4 C -0.9472(2) -0.5850(2) -0.20848(9) 0.0200(3) Uani 1 1 d . . .
C5 C -0.7517(2) -0.6303(2) -0.16927(9) 0.0184(3) Uani 1 1 d . . .
H5 H -0.6924 -0.6953 -0.2122 0.022 Uiso 1 1 calc R . .
C6 C -0.7470(2) -0.7488(2) -0.09186(9) 0.0205(3) Uani 1 1 d . . .
C7 C -0.5721(2) -0.8560(2) -0.08046(11) 0.0264(4) Uani 1 1 d . . .
H7A H -0.5145 -0.8662 -0.1328 0.032 Uiso 1 1 calc R . .
H7B H -0.4863 -0.8039 -0.0390 0.032 Uiso 1 1 calc R . .
C8 C -0.9180(2) -0.4983(2) -0.29257(10) 0.0201(3) Uani 1 1 d . . .
C9 C -0.7768(2) -0.3536(2) -0.29566(9) 0.0221(3) Uani 1 1 d . . .
C10 C -0.6097(2) -0.3658(2) -0.23104(10) 0.0240(3) Uani 1 1 d . . .
H10 H -0.5713 -0.2485 -0.2149 0.029 Uiso 1 1 calc R . .
C11 C -0.4831(2) -0.3670(3) -0.35674(10) 0.0289(4) Uani 1 1 d . . .
H11A H -0.4206 -0.4355 -0.3966 0.035 Uiso 1 1 calc R . .
H11B H -0.4340 -0.2507 -0.3553 0.035 Uiso 1 1 calc R . .
C12 C -0.6850(2) -0.3665(2) -0.37750(10) 0.0236(3) Uani 1 1 d . . .
C13 C -0.7830(2) -0.3985(2) -0.44953(10) 0.0262(4) Uani 1 1 d . . .
C14 C -0.9817(2) -0.4478(3) -0.44620(10) 0.0296(4) Uani 1 1 d . . .
H14A H -1.0568 -0.3450 -0.4527 0.035 Uiso 1 1 calc R . .
H14B H -1.0166 -0.5255 -0.4921 0.035 Uiso 1 1 calc R . .
C15 C -1.0150(2) -0.5347(2) -0.36420(10) 0.0253(3) Uani 1 1 d . . .
H15 H -1.1069 -0.6171 -0.3635 0.030 Uiso 1 1 calc R . .
C16 C -0.7014(3) -0.4097(2) -0.53070(11) 0.0290(4) Uani 1 1 d . . .
C17 C -0.4452(3) -0.3372(3) -0.60498(13) 0.0462(5) Uani 1 1 d . . .
H17A H -0.5178 -0.2903 -0.6518 0.069 Uiso 1 1 calc R . .
H17B H -0.4200 -0.4567 -0.6153 0.069 Uiso 1 1 calc R . .
H17C H -0.3326 -0.2745 -0.5974 0.069 Uiso 1 1 calc R . .
C22 C -0.8721(3) -0.1763(2) -0.29043(11) 0.0290(4) Uani 1 1 d . . .
H22A H -0.7848 -0.0857 -0.2966 0.043 Uiso 1 1 calc R . .
H22B H -0.9229 -0.1653 -0.2372 0.043 Uiso 1 1 calc R . .
H22C H -0.9678 -0.1676 -0.3343 0.043 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
O1 N1 1.4287(19) . ?
O1 C7 1.451(2) . ?
O2 C10 1.433(2) . ?
O2 C11 1.435(2) . ?
O3 C16 1.204(2) . ?
O4 C16 1.345(2) . ?
O4 C17 1.440(2) . ?
N1 C1 1.272(2) . ?
C1 C2 1.492(2) . ?
C1 C6 1.509(2) . ?
C1AA C6 1.540(2) . ?
C1AA H1AA 0.9600 . ?
C1AA H1AB 0.9600 . ?
C1AA H1AC 0.9600 . ?
C2 C3 1.541(2) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2AA C4 1.544(2) . ?
C2AA H2AA 0.9600 . ?
C2AA H2AB 0.9600 . ?
C2AA H2AC 0.9600 . ?
C3 C4 1.545(2) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3AA C10 1.514(2) . ?
C3AA C5 1.525(2) . ?
C3AA H3AA 0.9700 . ?
C3AA H3AB 0.9700 . ?
C4 C8 1.535(2) . ?
C4 C5 1.566(2) . ?
C5 C6 1.542(2) . ?
C5 H5 0.9800 . ?
C6 C7 1.530(2) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C15 1.337(2) . ?
C8 C9 1.530(2) . ?
C9 C12 1.521(2) . ?
C9 C22 1.547(2) . ?
C9 C10 1.552(2) . ?
C10 H10 0.9800 . ?
C11 C12 1.498(2) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.340(2) . ?
C13 C16 1.474(2) . ?
C13 C14 1.514(2) . ?
C14 C15 1.512(2) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 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 O1 C7 107.27(12) . . ?
C10 O2 C11 105.28(13) . . ?
C16 O4 C17 116.34(16) . . ?
C1 N1 O1 107.92(14) . . ?
N1 C1 C2 124.63(15) . . ?
N1 C1 C6 115.35(14) . . ?
C2 C1 C6 120.02(14) . . ?
C6 C1AA H1AA 109.5 . . ?
C6 C1AA H1AB 109.5 . . ?
H1AA C1AA H1AB 109.5 . . ?
C6 C1AA H1AC 109.5 . . ?
H1AA C1AA H1AC 109.5 . . ?
H1AB C1AA H1AC 109.5 . . ?
C1 C2 C3 109.51(13) . . ?
C1 C2 H2A 109.8 . . ?
C3 C2 H2A 109.8 . . ?
C1 C2 H2B 109.8 . . ?
C3 C2 H2B 109.8 . . ?
H2A C2 H2B 108.2 . . ?
C4 C2AA H2AA 109.5 . . ?
C4 C2AA H2AB 109.5 . . ?
H2AA C2AA H2AB 109.5 . . ?
C4 C2AA H2AC 109.5 . . ?
H2AA C2AA H2AC 109.5 . . ?
H2AB C2AA H2AC 109.5 . . ?
C2 C3 C4 113.65(13) . . ?
C2 C3 H3A 108.8 . . ?
C4 C3 H3A 108.8 . . ?
C2 C3 H3B 108.8 . . ?
C4 C3 H3B 108.8 . . ?
H3A C3 H3B 107.7 . . ?
C10 C3AA C5 112.80(12) . . ?
C10 C3AA H3AA 109.0 . . ?
C5 C3AA H3AA 109.0 . . ?
C10 C3AA H3AB 109.0 . . ?
C5 C3AA H3AB 109.0 . . ?
H3AA C3AA H3AB 107.8 . . ?
C8 C4 C2AA 108.74(13) . . ?
C8 C4 C3 110.09(13) . . ?
C2AA C4 C3 108.86(13) . . ?
C8 C4 C5 105.57(12) . . ?
C2AA C4 C5 114.17(12) . . ?
C3 C4 C5 109.34(12) . . ?
C3AA C5 C6 111.49(12) . . ?
C3AA C5 C4 111.77(12) . . ?
C6 C5 C4 115.02(12) . . ?
C3AA C5 H5 105.9 . . ?
C6 C5 H5 105.9 . . ?
C4 C5 H5 105.9 . . ?
C1 C6 C7 97.68(14) . . ?
C1 C6 C1AA 107.74(13) . . ?
C7 C6 C1AA 109.85(13) . . ?
C1 C6 C5 110.91(12) . . ?
C7 C6 C5 112.89(13) . . ?
C1AA C6 C5 116.12(14) . . ?
O1 C7 C6 104.54(13) . . ?
O1 C7 H7A 110.8 . . ?
C6 C7 H7A 110.8 . . ?
O1 C7 H7B 110.8 . . ?
C6 C7 H7B 110.8 . . ?
H7A C7 H7B 108.9 . . ?
C15 C8 C9 116.60(14) . . ?
C15 C8 C4 124.23(15) . . ?
C9 C8 C4 119.09(13) . . ?
C12 C9 C8 108.91(13) . . ?
C12 C9 C22 109.61(13) . . ?
C8 C9 C22 109.66(13) . . ?
C12 C9 C10 101.14(12) . . ?
C8 C9 C10 116.14(14) . . ?
C22 C9 C10 110.97(14) . . ?
O2 C10 C3AA 109.17(13) . . ?
O2 C10 C9 105.20(12) . . ?
C3AA C10 C9 116.39(13) . . ?
O2 C10 H10 108.6 . . ?
C3AA C10 H10 108.6 . . ?
C9 C10 H10 108.6 . . ?
O2 C11 C12 102.19(13) . . ?
O2 C11 H11A 111.3 . . ?
C12 C11 H11A 111.3 . . ?
O2 C11 H11B 111.3 . . ?
C12 C11 H11B 111.3 . . ?
H11A C11 H11B 109.2 . . ?
C13 C12 C11 130.85(16) . . ?
C13 C12 C9 120.76(15) . . ?
C11 C12 C9 107.59(13) . . ?
C12 C13 C16 122.95(16) . . ?
C12 C13 C14 118.47(15) . . ?
C16 C13 C14 118.11(15) . . ?
C15 C14 C13 111.06(13) . . ?
C15 C14 H14A 109.4 . . ?
C13 C14 H14A 109.4 . . ?
C15 C14 H14B 109.4 . . ?
C13 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C8 C15 C14 122.88(16) . . ?
C8 C15 H15 118.6 . . ?
C14 C15 H15 118.6 . . ?
O3 C16 O4 123.03(17) . . ?
O3 C16 C13 124.82(18) . . ?
O4 C16 C13 112.15(15) . . ?
O4 C17 H17A 109.5 . . ?
O4 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
O4 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C9 C22 H22A 109.5 . . ?
C9 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C9 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 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
C7 O1 N1 C1 -16.47(18) . . . . ?
O1 N1 C1 C2 178.56(14) . . . . ?
O1 N1 C1 C6 -0.99(19) . . . . ?
N1 C1 C2 C3 -130.54(17) . . . . ?
C6 C1 C2 C3 48.99(19) . . . . ?
C1 C2 C3 C4 -53.29(18) . . . . ?
C2 C3 C4 C8 170.66(13) . . . . ?
C2 C3 C4 C2AA -70.23(17) . . . . ?
C2 C3 C4 C5 55.11(17) . . . . ?
C10 C3AA C5 C6 169.57(13) . . . . ?
C10 C3AA C5 C4 -60.14(17) . . . . ?
C8 C4 C5 C3AA 62.40(15) . . . . ?
C2AA C4 C5 C3AA -56.98(17) . . . . ?
C3 C4 C5 C3AA -179.19(12) . . . . ?
C8 C4 C5 C6 -169.16(13) . . . . ?
C2AA C4 C5 C6 71.46(17) . . . . ?
C3 C4 C5 C6 -50.75(17) . . . . ?
N1 C1 C6 C7 16.49(18) . . . . ?
C2 C1 C6 C7 -163.08(14) . . . . ?
N1 C1 C6 C1AA -97.27(17) . . . . ?
C2 C1 C6 C1AA 83.16(17) . . . . ?
N1 C1 C6 C5 134.63(15) . . . . ?
C2 C1 C6 C5 -44.95(19) . . . . ?
C3AA C5 C6 C1 173.11(13) . . . . ?
C4 C5 C6 C1 44.52(17) . . . . ?
C3AA C5 C6 C7 -78.44(17) . . . . ?
C4 C5 C6 C7 152.98(13) . . . . ?
C3AA C5 C6 C1AA 49.69(17) . . . . ?
C4 C5 C6 C1AA -78.89(16) . . . . ?
N1 O1 C7 C6 26.42(17) . . . . ?
C1 C6 C7 O1 -24.47(15) . . . . ?
C1AA C6 C7 O1 87.59(16) . . . . ?
C5 C6 C7 O1 -141.07(13) . . . . ?
C2AA C4 C8 C15 -102.04(18) . . . . ?
C3 C4 C8 C15 17.1(2) . . . . ?
C5 C4 C8 C15 135.05(16) . . . . ?
C2AA C4 C8 C9 74.54(16) . . . . ?
C3 C4 C8 C9 -166.27(13) . . . . ?
C5 C4 C8 C9 -48.37(17) . . . . ?
C15 C8 C9 C12 -39.00(19) . . . . ?
C4 C8 C9 C12 144.16(14) . . . . ?
C15 C8 C9 C22 80.93(18) . . . . ?
C4 C8 C9 C22 -95.91(16) . . . . ?
C15 C8 C9 C10 -152.30(15) . . . . ?
C4 C8 C9 C10 30.9(2) . . . . ?
C11 O2 C10 C3AA 166.28(13) . . . . ?
C11 O2 C10 C9 40.68(16) . . . . ?
C5 C3AA C10 O2 -80.14(16) . . . . ?
C5 C3AA C10 C9 38.7(2) . . . . ?
C12 C9 C10 O2 -20.61(16) . . . . ?
C8 C9 C10 O2 97.06(15) . . . . ?
C22 C9 C10 O2 -136.83(14) . . . . ?
C12 C9 C10 C3AA -141.59(14) . . . . ?
C8 C9 C10 C3AA -23.9(2) . . . . ?
C22 C9 C10 C3AA 102.20(17) . . . . ?
C10 O2 C11 C12 -43.14(16) . . . . ?
O2 C11 C12 C13 -140.43(19) . . . . ?
O2 C11 C12 C9 29.15(17) . . . . ?
C8 C9 C12 C13 42.7(2) . . . . ?
C22 C9 C12 C13 -77.3(2) . . . . ?
C10 C9 C12 C13 165.53(16) . . . . ?
C8 C9 C12 C11 -128.13(14) . . . . ?
C22 C9 C12 C11 111.90(15) . . . . ?
C10 C9 C12 C11 -5.31(17) . . . . ?
C11 C12 C13 C16 -12.5(3) . . . . ?
C9 C12 C13 C16 179.07(16) . . . . ?
C11 C12 C13 C14 159.49(18) . . . . ?
C9 C12 C13 C14 -8.9(2) . . . . ?
C12 C13 C14 C15 -27.5(2) . . . . ?
C16 C13 C14 C15 144.90(16) . . . . ?
C9 C8 C15 C14 3.8(2) . . . . ?
C4 C8 C15 C14 -179.50(15) . . . . ?
C13 C14 C15 C8 30.7(2) . . . . ?
C17 O4 C16 O3 -5.5(3) . . . . ?
C17 O4 C16 C13 175.07(17) . . . . ?
C12 C13 C16 O3 156.56(19) . . . . ?
C14 C13 C16 O3 -15.5(3) . . . . ?
C12 C13 C16 O4 -24.0(2) . . . . ?
C14 C13 C16 O4 163.96(15) . . . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        70.72
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         0.184
_refine_diff_density_min         -0.138
_refine_diff_density_rms         0.036
