# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2013


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# 
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#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
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data_1
_database_code_depnum_ccdc_archive 'CCDC 921456'
#TrackingRef '17144_web_deposit_cif_file_0_JinlongZhang_1358945914.1.cif'
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H25 N O6'
_chemical_formula_weight         375.41
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'
_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                   9.941(4)
_cell_length_b                   7.947(3)
_cell_length_c                   12.485(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.403(4)
_cell_angle_gamma                90.00
_cell_volume                     983.4(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?
_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.268
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             400
_exptl_absorpt_coefficient_mu    0.094
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.9815
_exptl_absorpt_correction_T_max  0.9861
_exptl_absorpt_process_details   SADABS
_exptl_special_details           
;
?
;
_diffrn_ambient_temperature      296(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  'Bruker APEX II area detector'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            6381
_diffrn_reflns_av_R_equivalents  0.0148
_diffrn_reflns_av_sigmaI/netI    0.0247
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.05
_diffrn_reflns_theta_max         24.99
_reflns_number_total             3376
_reflns_number_gt                3109
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       'Bruker SMART APEX II'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.0800P)^2^+0.0070P] where P=(Fo^2^+2Fc^2^)/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   0.2(9)
_refine_ls_number_reflns         3376
_refine_ls_number_parameters     250
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0326
_refine_ls_wR_factor_ref         0.1070
_refine_ls_wR_factor_gt          0.0982
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.031
_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 0.00966(13) 1.03404(18) 0.13559(11) 0.0440(3) Uani 1 1 d . . .
H1 H -0.0403 1.0855 0.1733 0.066 Uiso 1 1 calc R . .
O2 O 0.13957(17) 0.8861(2) 0.39166(12) 0.0594(4) Uani 1 1 d . . .
O3 O 0.07559(18) 1.14202(18) 0.33256(13) 0.0574(4) Uani 1 1 d . . .
O4 O -0.15123(14) 0.78344(18) 0.28356(14) 0.0553(4) Uani 1 1 d . . .
O5 O -0.27139(13) 0.47621(17) 0.30056(12) 0.0494(4) Uani 1 1 d . . .
O6 O -0.19505(14) 0.27259(18) 0.19404(14) 0.0563(4) Uani 1 1 d . . .
C1 C 0.3910(2) 1.0418(3) 0.03382(18) 0.0525(5) Uani 1 1 d . . .
H1A H 0.4032 1.0990 -0.0297 0.063 Uiso 1 1 calc R . .
C2 C 0.5007(2) 0.9655(3) 0.08791(18) 0.0492(5) Uani 1 1 d . . .
C3 C 0.6398(2) 0.9806(3) 0.0476(2) 0.0694(7) Uani 1 1 d . . .
H3A H 0.7049 0.9300 0.0986 0.104 Uiso 1 1 calc R . .
H3B H 0.6615 1.0972 0.0390 0.104 Uiso 1 1 calc R . .
H3C H 0.6413 0.9240 -0.0202 0.104 Uiso 1 1 calc R . .
C4 C 0.4796(2) 0.8797(3) 0.18070(19) 0.0537(5) Uani 1 1 d . . .
H4 H 0.5519 0.8278 0.2192 0.064 Uiso 1 1 calc R . .
C5 C 0.3513(2) 0.8696(3) 0.21789(18) 0.0507(5) Uani 1 1 d . . .
H5 H 0.3389 0.8098 0.2804 0.061 Uiso 1 1 calc R . .
C6 C 0.24184(17) 0.9475(2) 0.16307(15) 0.0379(4) Uani 1 1 d . . .
C7 C 0.2637(2) 1.0362(3) 0.07058(16) 0.0454(4) Uani 1 1 d . . .
H7 H 0.1926 1.0922 0.0332 0.055 Uiso 1 1 calc R . .
C9 C 0.09817(17) 0.9312(2) 0.20120(15) 0.0372(4) Uani 1 1 d . . .
C10 C 0.10558(18) 0.9810(2) 0.31996(16) 0.0415(4) Uani 1 1 d . . .
C11 C 0.0849(3) 1.2106(3) 0.4420(2) 0.0684(7) Uani 1 1 d . . .
H11A H -0.0049 1.2296 0.4650 0.082 Uiso 1 1 calc R . .
H11B H 0.1310 1.1313 0.4911 0.082 Uiso 1 1 calc R . .
C12 C 0.1588(4) 1.3679(5) 0.4429(3) 0.1074(13) Uani 1 1 d . . .
H12A H 0.2472 1.3484 0.4193 0.161 Uiso 1 1 calc R . .
H12B H 0.1668 1.4128 0.5145 0.161 Uiso 1 1 calc R . .
H12C H 0.1115 1.4467 0.3955 0.161 Uiso 1 1 calc R . .
C13 C 0.05118(17) 0.7501(2) 0.19110(15) 0.0367(4) Uani 1 1 d . . .
C14 C 0.10094(19) 0.6227(3) 0.13894(17) 0.0444(5) Uani 1 1 d . . .
H14 H 0.1793 0.6291 0.1030 0.053 Uiso 1 1 calc R . .
C15 C 0.01815(19) 0.4688(2) 0.14405(17) 0.0422(4) Uani 1 1 d . . .
H15A H -0.0165 0.4328 0.0730 0.051 Uiso 1 1 calc R . .
H15B H 0.0692 0.3776 0.1792 0.051 Uiso 1 1 calc R . .
N1 N -0.09124(15) 0.52545(19) 0.20838(13) 0.0396(4) Uani 1 1 d . . .
C17 C -0.07585(18) 0.6967(2) 0.23587(15) 0.0373(4) Uani 1 1 d . . .
C18 C -0.4909(2) 0.3621(4) 0.2386(2) 0.0633(6) Uani 1 1 d . . .
H18A H -0.5177 0.4722 0.2136 0.095 Uiso 1 1 calc R . .
H18B H -0.5685 0.3018 0.2591 0.095 Uiso 1 1 calc R . .
H18C H -0.4512 0.3022 0.1821 0.095 Uiso 1 1 calc R . .
C19 C -0.4410(3) 0.4924(4) 0.4193(2) 0.0723(7) Uani 1 1 d . . .
H19A H -0.3767 0.4953 0.4807 0.108 Uiso 1 1 calc R . .
H19B H -0.5256 0.4503 0.4403 0.108 Uiso 1 1 calc R . .
H19C H -0.4534 0.6039 0.3907 0.108 Uiso 1 1 calc R . .
C20 C -0.3438(3) 0.2110(4) 0.3818(3) 0.0728(7) Uani 1 1 d . . .
H20A H -0.3048 0.1444 0.3280 0.109 Uiso 1 1 calc R . .
H20B H -0.4199 0.1527 0.4069 0.109 Uiso 1 1 calc R . .
H20C H -0.2778 0.2298 0.4408 0.109 Uiso 1 1 calc R . .
C21 C -0.38929(19) 0.3778(3) 0.33405(18) 0.0488(5) Uani 1 1 d . . .
C22 C -0.19057(18) 0.4124(2) 0.23218(16) 0.0407(4) Uani 1 1 d . . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
O1 0.0490(7) 0.0423(7) 0.0416(7) 0.0028(6) 0.0093(6) 0.0084(6)
O2 0.0767(10) 0.0602(9) 0.0411(8) 0.0055(7) 0.0039(7) 0.0052(8)
O3 0.0886(10) 0.0411(8) 0.0435(8) -0.0083(6) 0.0126(7) 0.0026(7)
O4 0.0512(7) 0.0433(7) 0.0755(10) -0.0159(7) 0.0307(7) -0.0044(6)
O5 0.0466(7) 0.0452(7) 0.0591(9) -0.0092(6) 0.0221(6) -0.0131(6)
O6 0.0522(8) 0.0394(7) 0.0794(11) -0.0142(7) 0.0177(7) -0.0074(7)
C1 0.0572(12) 0.0530(11) 0.0499(11) -0.0019(10) 0.0205(10) -0.0176(10)
C2 0.0443(10) 0.0456(10) 0.0596(13) -0.0138(10) 0.0176(9) -0.0145(9)
C3 0.0486(12) 0.0770(16) 0.0865(18) -0.0241(14) 0.0293(11) -0.0214(12)
C4 0.0419(10) 0.0520(11) 0.0677(14) 0.0006(10) 0.0081(10) 0.0001(9)
C5 0.0472(10) 0.0510(11) 0.0556(13) 0.0106(10) 0.0147(9) -0.0005(9)
C6 0.0398(9) 0.0327(8) 0.0422(10) -0.0020(8) 0.0097(7) -0.0051(8)
C7 0.0468(10) 0.0463(10) 0.0440(11) 0.0027(9) 0.0086(8) -0.0079(9)
C9 0.0402(9) 0.0350(8) 0.0371(10) 0.0010(7) 0.0079(7) 0.0012(7)
C10 0.0405(9) 0.0438(10) 0.0414(11) 0.0013(9) 0.0104(8) -0.0036(8)
C11 0.0963(18) 0.0622(14) 0.0493(13) -0.0204(11) 0.0229(12) -0.0098(14)
C12 0.145(3) 0.108(3) 0.0700(19) -0.030(2) 0.0172(19) -0.064(3)
C13 0.0368(8) 0.0369(9) 0.0376(10) 0.0005(7) 0.0111(7) -0.0007(7)
C14 0.0417(10) 0.0432(9) 0.0511(11) -0.0062(9) 0.0223(9) 0.0001(8)
C15 0.0444(9) 0.0368(9) 0.0474(11) -0.0047(8) 0.0157(8) 0.0026(8)
N1 0.0382(7) 0.0355(8) 0.0469(9) -0.0059(7) 0.0142(6) -0.0016(7)
C17 0.0375(9) 0.0358(9) 0.0395(10) -0.0035(7) 0.0085(7) -0.0003(8)
C18 0.0497(12) 0.0753(16) 0.0650(15) -0.0078(13) 0.0065(10) -0.0107(11)
C19 0.0588(13) 0.096(2) 0.0656(15) -0.0170(14) 0.0261(11) -0.0221(13)
C20 0.0707(15) 0.0732(16) 0.0755(17) 0.0203(14) 0.0119(13) -0.0163(13)
C21 0.0415(9) 0.0562(12) 0.0500(11) -0.0014(10) 0.0130(9) -0.0134(9)
C22 0.0375(8) 0.0371(9) 0.0481(11) -0.0030(8) 0.0072(8) -0.0026(8)
_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 C9 1.415(2) . ?
O1 H1 0.8200 . ?
O2 C10 1.199(3) . ?
O3 C10 1.326(3) . ?
O3 C11 1.467(3) . ?
O4 C17 1.208(2) . ?
O5 C22 1.318(2) . ?
O5 C21 1.495(2) . ?
O6 C22 1.208(2) . ?
C1 C2 1.378(3) . ?
C1 C7 1.380(3) . ?
C1 H1A 0.9300 . ?
C2 C4 1.374(3) . ?
C2 C3 1.512(3) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 C5 1.393(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.386(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.385(3) . ?
C6 C9 1.545(2) . ?
C7 H7 0.9300 . ?
C9 C13 1.515(3) . ?
C9 C10 1.531(3) . ?
C11 C12 1.450(4) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.320(3) . ?
C13 C17 1.482(2) . ?
C14 C15 1.478(3) . ?
C14 H14 0.9300 . ?
C15 N1 1.471(2) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
N1 C22 1.384(2) . ?
N1 C17 1.409(2) . ?
C18 C21 1.507(3) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C21 1.519(3) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 C21 1.508(4) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 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
C9 O1 H1 109.5 . . ?
C10 O3 C11 118.06(19) . . ?
C22 O5 C21 120.66(15) . . ?
C2 C1 C7 122.3(2) . . ?
C2 C1 H1A 118.8 . . ?
C7 C1 H1A 118.8 . . ?
C4 C2 C1 117.72(18) . . ?
C4 C2 C3 121.5(2) . . ?
C1 C2 C3 120.8(2) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 C5 120.8(2) . . ?
C2 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C6 C5 C4 120.93(19) . . ?
C6 C5 H5 119.5 . . ?
C4 C5 H5 119.5 . . ?
C7 C6 C5 118.15(17) . . ?
C7 C6 C9 120.51(16) . . ?
C5 C6 C9 121.31(16) . . ?
C1 C7 C6 120.0(2) . . ?
C1 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
O1 C9 C13 109.05(15) . . ?
O1 C9 C10 113.12(14) . . ?
C13 C9 C10 108.53(15) . . ?
O1 C9 C6 108.76(14) . . ?
C13 C9 C6 109.90(14) . . ?
C10 C9 C6 107.45(14) . . ?
O2 C10 O3 124.8(2) . . ?
O2 C10 C9 123.38(18) . . ?
O3 C10 C9 111.71(16) . . ?
C12 C11 O3 108.9(2) . . ?
C12 C11 H11A 109.9 . . ?
O3 C11 H11A 109.9 . . ?
C12 C11 H11B 109.9 . . ?
O3 C11 H11B 109.9 . . ?
H11A C11 H11B 108.3 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C17 109.21(16) . . ?
C14 C13 C9 130.12(16) . . ?
C17 C13 C9 120.45(15) . . ?
C13 C14 C15 112.47(15) . . ?
C13 C14 H14 123.8 . . ?
C15 C14 H14 123.8 . . ?
N1 C15 C14 102.00(14) . . ?
N1 C15 H15A 111.4 . . ?
C14 C15 H15A 111.4 . . ?
N1 C15 H15B 111.4 . . ?
C14 C15 H15B 111.4 . . ?
H15A C15 H15B 109.2 . . ?
C22 N1 C17 129.83(15) . . ?
C22 N1 C15 119.23(15) . . ?
C17 N1 C15 110.94(14) . . ?
O4 C17 N1 127.67(17) . . ?
O4 C17 C13 126.97(17) . . ?
N1 C17 C13 105.33(14) . . ?
C21 C18 H18A 109.5 . . ?
C21 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C21 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C21 C19 H19A 109.5 . . ?
C21 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C21 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 H20A 109.5 . . ?
C21 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C21 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O5 C21 C18 108.32(18) . . ?
O5 C21 C20 110.64(17) . . ?
C18 C21 C20 113.7(2) . . ?
O5 C21 C19 101.37(17) . . ?
C18 C21 C19 111.2(2) . . ?
C20 C21 C19 110.9(2) . . ?
O6 C22 O5 127.11(17) . . ?
O6 C22 N1 121.16(16) . . ?
O5 C22 N1 111.71(15) . . ?
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 C1 C2 C4 0.9(3) . . . . ?
C7 C1 C2 C3 -177.4(2) . . . . ?
C1 C2 C4 C5 0.5(3) . . . . ?
C3 C2 C4 C5 178.8(2) . . . . ?
C2 C4 C5 C6 -0.8(3) . . . . ?
C4 C5 C6 C7 -0.3(3) . . . . ?
C4 C5 C6 C9 177.57(19) . . . . ?
C2 C1 C7 C6 -2.0(3) . . . . ?
C5 C6 C7 C1 1.7(3) . . . . ?
C9 C6 C7 C1 -176.21(18) . . . . ?
C7 C6 C9 O1 -6.9(2) . . . . ?
C5 C6 C9 O1 175.28(17) . . . . ?
C7 C6 C9 C13 112.4(2) . . . . ?
C5 C6 C9 C13 -65.4(2) . . . . ?
C7 C6 C9 C10 -129.68(19) . . . . ?
C5 C6 C9 C10 52.5(2) . . . . ?
C11 O3 C10 O2 0.3(3) . . . . ?
C11 O3 C10 C9 -177.03(18) . . . . ?
O1 C9 C10 O2 156.91(18) . . . . ?
C13 C9 C10 O2 35.7(2) . . . . ?
C6 C9 C10 O2 -83.0(2) . . . . ?
O1 C9 C10 O3 -25.8(2) . . . . ?
C13 C9 C10 O3 -146.92(16) . . . . ?
C6 C9 C10 O3 94.29(18) . . . . ?
C10 O3 C11 C12 132.3(3) . . . . ?
O1 C9 C13 C14 105.0(2) . . . . ?
C10 C9 C13 C14 -131.4(2) . . . . ?
C6 C9 C13 C14 -14.1(3) . . . . ?
O1 C9 C13 C17 -69.0(2) . . . . ?
C10 C9 C13 C17 54.6(2) . . . . ?
C6 C9 C13 C17 171.84(16) . . . . ?
C17 C13 C14 C15 -1.6(2) . . . . ?
C9 C13 C14 C15 -176.11(19) . . . . ?
C13 C14 C15 N1 0.2(2) . . . . ?
C14 C15 N1 C22 -179.15(17) . . . . ?
C14 C15 N1 C17 1.4(2) . . . . ?
C22 N1 C17 O4 -3.2(3) . . . . ?
C15 N1 C17 O4 176.2(2) . . . . ?
C22 N1 C17 C13 178.33(18) . . . . ?
C15 N1 C17 C13 -2.3(2) . . . . ?
C14 C13 C17 O4 -176.1(2) . . . . ?
C9 C13 C17 O4 -0.9(3) . . . . ?
C14 C13 C17 N1 2.3(2) . . . . ?
C9 C13 C17 N1 177.51(17) . . . . ?
C22 O5 C21 C18 -68.5(3) . . . . ?
C22 O5 C21 C20 56.8(3) . . . . ?
C22 O5 C21 C19 174.5(2) . . . . ?
C21 O5 C22 O6 -4.1(3) . . . . ?
C21 O5 C22 N1 177.59(16) . . . . ?
C17 N1 C22 O6 173.4(2) . . . . ?
C15 N1 C22 O6 -6.0(3) . . . . ?
C17 N1 C22 O5 -8.2(3) . . . . ?
C15 N1 C22 O5 172.42(17) . . . . ?
_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        24.99
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.142
_refine_diff_density_min         -0.116
_refine_diff_density_rms         0.029