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# This journal is © The Royal Society of Chemistry 2014

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#                                CCDC 
# 
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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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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
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data_u130115yag_p212121

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H28 N3 O7'
_chemical_formula_weight         542.55
_chemical_absolute_configuration syn

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           Orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2(1)

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

_cell_length_a                   10.4426(6)
_cell_length_b                   12.0149(7)
_cell_length_c                   21.1390(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2652.2(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    173
_cell_measurement_reflns_used    9745
_cell_measurement_theta_min      4.18
_cell_measurement_theta_max      67.90

_exptl_crystal_description       prismatic
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1140
_exptl_absorpt_coefficient_mu    0.809
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.8550
_exptl_absorpt_correction_T_max  0.8550
_exptl_absorpt_process_details   'SADABS Sheldrick 1996'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            15971
_diffrn_reflns_av_R_equivalents  0.0582
_diffrn_reflns_av_sigmaI/netI    0.0571
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         4.18
_diffrn_reflns_theta_max         68.13
_reflns_number_total             4505
_reflns_number_gt                4427
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_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)+(0.1519P)²+9.7779P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_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   0.3(5)
_refine_ls_number_reflns         4505
_refine_ls_number_parameters     363
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1078
_refine_ls_R_factor_gt           0.1071
_refine_ls_wR_factor_ref         0.2866
_refine_ls_wR_factor_gt          0.2861
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_restrained_S_all      1.107
_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
C1 C 0.7613(6) 0.5394(4) 0.1794(3) 0.0222(12) Uani 1 1 d . . .
C2 C 0.8668(6) 0.4922(5) 0.2113(3) 0.0283(13) Uani 1 1 d . . .
H2 H 0.9396 0.4691 0.1878 0.034 Uiso 1 1 calc R . .
C3 C 0.8659(7) 0.4791(6) 0.2768(3) 0.0334(15) Uani 1 1 d . . .
H3 H 0.9364 0.4452 0.2976 0.040 Uiso 1 1 calc R . .
C4 C 0.7635(7) 0.5149(5) 0.3107(3) 0.0289(13) Uani 1 1 d . . .
C5 C 0.6567(7) 0.5591(5) 0.2817(3) 0.0312(14) Uani 1 1 d . . .
H5 H 0.5845 0.5813 0.3060 0.037 Uiso 1 1 calc R . .
C6 C 0.6567(6) 0.5708(5) 0.2159(3) 0.0286(13) Uani 1 1 d . . .
H6 H 0.5833 0.6010 0.1956 0.034 Uiso 1 1 calc R . .
C7 C 0.7679(5) 0.5636(5) 0.1088(3) 0.0218(11) Uani 1 1 d . . .
H7 H 0.8090 0.6385 0.1052 0.026 Uiso 1 1 calc R . .
C8 C 0.6374(5) 0.5758(5) 0.0782(3) 0.0221(11) Uani 1 1 d . . .
C9 C 0.5435(5) 0.4867(5) 0.0710(3) 0.0265(13) Uani 1 1 d . . .
C10 C 0.4503(6) 0.6469(5) 0.0300(3) 0.0283(13) Uani 1 1 d . . .
H10 H 0.4486 0.6581 -0.0168 0.034 Uiso 1 1 calc R . .
C11 C 0.5828(6) 0.6685(5) 0.0549(3) 0.0249(12) Uani 1 1 d . . .
C12 C 0.3453(6) 0.7187(5) 0.0616(3) 0.0326(14) Uani 1 1 d . . .
H12A H 0.3586 0.7972 0.0490 0.039 Uiso 1 1 calc R . .
H12B H 0.2611 0.6952 0.0449 0.039 Uiso 1 1 calc R . .
C13 C 0.3406(7) 0.7133(5) 0.1323(3) 0.0324(14) Uani 1 1 d . . .
C14 C 0.2560(8) 0.6388(7) 0.1619(4) 0.0482(19) Uani 1 1 d . . .
H14 H 0.2050 0.5898 0.1372 0.058 Uiso 1 1 calc R . .
C15 C 0.2472(10) 0.6371(9) 0.2276(4) 0.064(3) Uani 1 1 d . . .
H15 H 0.1884 0.5880 0.2475 0.077 Uiso 1 1 calc R . .
C16 C 0.3192(8) 0.7026(7) 0.2624(4) 0.0465(19) Uani 1 1 d . . .
H16 H 0.3110 0.6991 0.3071 0.056 Uiso 1 1 calc R . .
C17 C 0.4053(7) 0.7754(7) 0.2368(3) 0.0407(17) Uani 1 1 d . . .
H17 H 0.4571 0.8208 0.2633 0.049 Uiso 1 1 calc R . .
C18 C 0.4158(7) 0.7820(6) 0.1707(3) 0.0372(15) Uani 1 1 d . . .
H18 H 0.4740 0.8331 0.1520 0.045 Uiso 1 1 calc R . .
C19 C 0.8549(5) 0.4848(5) 0.0730(2) 0.0201(11) Uani 1 1 d . . .
C20 C 0.9708(6) 0.5246(5) 0.0409(3) 0.0269(13) Uani 1 1 d . . .
C21 C 0.9638(6) 0.3342(5) 0.0271(3) 0.0260(13) Uani 1 1 d . . .
H21 H 0.9302 0.3071 -0.0144 0.031 Uiso 1 1 calc R . .
C22 C 0.8551(6) 0.3751(5) 0.0654(3) 0.0255(12) Uani 1 1 d . . .
C23 C 1.0476(6) 0.2429(5) 0.0563(3) 0.0295(13) Uani 1 1 d . . .
H23A H 0.9956 0.1745 0.0607 0.035 Uiso 1 1 calc R . .
H23B H 1.1186 0.2263 0.0267 0.035 Uiso 1 1 calc R . .
C24 C 1.1038(6) 0.2710(5) 0.1199(3) 0.0313(14) Uani 1 1 d . . .
C25 C 1.2209(8) 0.3214(6) 0.1249(4) 0.0461(18) Uani 1 1 d . . .
H25 H 1.2681 0.3367 0.0875 0.055 Uiso 1 1 calc R . .
C26 C 1.2718(9) 0.3501(7) 0.1817(5) 0.057(2) Uani 1 1 d . . .
H26 H 1.3509 0.3891 0.1828 0.068 Uiso 1 1 calc R . .
C27 C 1.2103(10) 0.3235(7) 0.2387(5) 0.060(3) Uani 1 1 d . . .
H27 H 1.2481 0.3407 0.2784 0.071 Uiso 1 1 calc R . .
C28 C 1.0901(8) 0.2704(6) 0.2348(4) 0.0442(18) Uani 1 1 d . . .
H28 H 1.0447 0.2510 0.2721 0.053 Uiso 1 1 calc R . .
C29 C 1.0392(8) 0.2469(5) 0.1761(3) 0.0359(15) Uani 1 1 d . . .
H29 H 0.9571 0.2131 0.1738 0.043 Uiso 1 1 calc R . .
C30 C 0.7836(10) 0.0026(6) 0.1084(4) 0.049(2) Uani 1 1 d . . .
H30A H 0.8708 0.0115 0.1247 0.074 Uiso 1 1 calc R . .
H30B H 0.7698 -0.0752 0.0962 0.074 Uiso 1 1 calc R . .
H30C H 0.7219 0.0234 0.1413 0.074 Uiso 1 1 calc R . .
N1 N 0.7626(6) 0.5052(4) 0.3801(3) 0.0361(13) Uani 1 1 d . . .
N2 N 0.4370(5) 0.5290(4) 0.0447(2) 0.0274(11) Uani 1 1 d . . .
H2A H 0.3673 0.4901 0.0371 0.033 Uiso 1 1 calc R . .
N3 N 1.0334(5) 0.4378(4) 0.0167(2) 0.0290(12) Uani 1 1 d . . .
H3A H 1.1074 0.4425 -0.0031 0.035 Uiso 1 1 calc R . .
O1 O 0.6674(6) 0.5317(5) 0.4093(2) 0.0569(16) Uani 1 1 d . . .
O2 O 0.8616(6) 0.4701(5) 0.4057(2) 0.0554(15) Uani 1 1 d . . .
O3 O 0.5525(4) 0.3851(3) 0.0868(2) 0.0311(10) Uani 1 1 d . . .
O4 O 0.6346(4) 0.7696(3) 0.0522(2) 0.0298(10) Uani 1 1 d . . .
H4 H 0.5822 0.8140 0.0357 0.045 Uiso 1 1 calc R . .
O5 O 1.0057(4) 0.6245(4) 0.0358(2) 0.0314(10) Uani 1 1 d . . .
O6 O 0.7672(4) 0.2982(3) 0.0843(2) 0.0278(9) Uani 1 1 d . . .
H6A H 0.7174 0.3270 0.1108 0.042 Uiso 1 1 calc R . .
O7 O 0.7659(4) 0.0740(4) 0.0535(2) 0.0341(10) Uani 1 1 d . . .


_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
C1 C6 1.389(8) . ?
C1 C2 1.411(8) . ?
C1 C7 1.522(8) . ?
C2 C3 1.393(9) . ?
C2 H2 0.9500 . ?
C3 C4 1.357(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.379(9) . ?
C4 N1 1.471(7) . ?
C5 C6 1.398(9) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C19 1.515(8) . ?
C7 C8 1.516(7) . ?
C7 H7 1.0000 . ?
C8 C11 1.344(8) . ?
C8 C9 1.460(8) . ?
C9 O3 1.269(7) . ?
C9 N2 1.343(8) . ?
C10 N2 1.456(8) . ?
C10 C11 1.503(9) . ?
C10 C12 1.547(9) . ?
C10 H10 1.0000 . ?
C11 O4 1.331(7) . ?
C12 C13 1.495(9) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C18 1.398(10) . ?
C13 C14 1.406(11) . ?
C14 C15 1.391(12) . ?
C14 H14 0.9500 . ?
C15 C16 1.314(13) . ?
C15 H15 0.9500 . ?
C16 C17 1.366(12) . ?
C16 H16 0.9500 . ?
C17 C18 1.406(10) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C22 1.328(8) . ?
C19 C20 1.468(8) . ?
C20 O5 1.259(7) . ?
C20 N3 1.333(8) . ?
C21 N3 1.459(8) . ?
C21 C22 1.477(9) . ?
C21 C23 1.533(8) . ?
C21 H21 1.0000 . ?
C22 O6 1.362(7) . ?
C23 C24 1.505(9) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.368(10) . ?
C24 C29 1.396(9) . ?
C25 C26 1.357(12) . ?
C25 H25 0.9500 . ?
C26 C27 1.403(14) . ?
C26 H26 0.9500 . ?
C27 C28 1.411(13) . ?
C27 H27 0.9500 . ?
C28 C29 1.378(10) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 O7 1.455(9) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
N1 O1 1.213(8) . ?
N1 O2 1.241(8) . ?
N2 H2A 0.8800 . ?
N3 H3A 0.8800 . ?
O4 H4 0.8400 . ?
O6 H6A 0.8400 . ?

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
C6 C1 C2 117.2(5) . . ?
C6 C1 C7 121.9(5) . . ?
C2 C1 C7 120.6(5) . . ?
C3 C2 C1 121.0(6) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C4 C3 C2 119.6(6) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 121.6(5) . . ?
C3 C4 N1 120.4(6) . . ?
C5 C4 N1 117.9(6) . . ?
C4 C5 C6 118.7(6) . . ?
C4 C5 H5 120.6 . . ?
C6 C5 H5 120.6 . . ?
C1 C6 C5 121.7(6) . . ?
C1 C6 H6 119.1 . . ?
C5 C6 H6 119.1 . . ?
C19 C7 C8 112.7(5) . . ?
C19 C7 C1 113.4(4) . . ?
C8 C7 C1 113.3(5) . . ?
C19 C7 H7 105.5 . . ?
C8 C7 H7 105.5 . . ?
C1 C7 H7 105.5 . . ?
C11 C8 C9 106.6(5) . . ?
C11 C8 C7 128.1(5) . . ?
C9 C8 C7 125.3(5) . . ?
O3 C9 N2 122.4(5) . . ?
O3 C9 C8 128.9(6) . . ?
N2 C9 C8 108.7(5) . . ?
N2 C10 C11 100.5(5) . . ?
N2 C10 C12 112.5(5) . . ?
C11 C10 C12 113.9(5) . . ?
N2 C10 H10 109.9 . . ?
C11 C10 H10 109.9 . . ?
C12 C10 H10 109.9 . . ?
O4 C11 C8 126.9(6) . . ?
O4 C11 C10 121.1(5) . . ?
C8 C11 C10 112.0(5) . . ?
C13 C12 C10 115.5(5) . . ?
C13 C12 H12A 108.4 . . ?
C10 C12 H12A 108.4 . . ?
C13 C12 H12B 108.4 . . ?
C10 C12 H12B 108.4 . . ?
H12A C12 H12B 107.5 . . ?
C18 C13 C14 118.0(6) . . ?
C18 C13 C12 122.4(6) . . ?
C14 C13 C12 119.6(6) . . ?
C15 C14 C13 119.7(8) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C16 C15 C14 120.9(8) . . ?
C16 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
C15 C16 C17 122.6(7) . . ?
C15 C16 H16 118.7 . . ?
C17 C16 H16 118.7 . . ?
C16 C17 C18 118.8(7) . . ?
C16 C17 H17 120.6 . . ?
C18 C17 H17 120.6 . . ?
C13 C18 C17 120.0(7) . . ?
C13 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C22 C19 C20 105.4(5) . . ?
C22 C19 C7 133.0(5) . . ?
C20 C19 C7 121.4(5) . . ?
O5 C20 N3 124.8(6) . . ?
O5 C20 C19 126.1(6) . . ?
N3 C20 C19 109.1(5) . . ?
N3 C21 C22 100.5(5) . . ?
N3 C21 C23 112.8(5) . . ?
C22 C21 C23 117.1(5) . . ?
N3 C21 H21 108.7 . . ?
C22 C21 H21 108.7 . . ?
C23 C21 H21 108.7 . . ?
C19 C22 O6 129.5(6) . . ?
C19 C22 C21 113.4(5) . . ?
O6 C22 C21 116.9(5) . . ?
C24 C23 C21 114.9(5) . . ?
C24 C23 H23A 108.5 . . ?
C21 C23 H23A 108.5 . . ?
C24 C23 H23B 108.5 . . ?
C21 C23 H23B 108.5 . . ?
H23A C23 H23B 107.5 . . ?
C25 C24 C29 117.2(7) . . ?
C25 C24 C23 121.1(7) . . ?
C29 C24 C23 121.6(6) . . ?
C26 C25 C24 122.1(8) . . ?
C26 C25 H25 118.9 . . ?
C24 C25 H25 118.9 . . ?
C25 C26 C27 121.5(8) . . ?
C25 C26 H26 119.3 . . ?
C27 C26 H26 119.3 . . ?
C26 C27 C28 117.4(7) . . ?
C26 C27 H27 121.3 . . ?
C28 C27 H27 121.3 . . ?
C29 C28 C27 119.2(8) . . ?
C29 C28 H28 120.4 . . ?
C27 C28 H28 120.4 . . ?
C28 C29 C24 122.5(7) . . ?
C28 C29 H29 118.8 . . ?
C24 C29 H29 118.8 . . ?
O7 C30 H30A 109.5 . . ?
O7 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
O7 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O1 N1 O2 123.2(6) . . ?
O1 N1 C4 119.5(6) . . ?
O2 N1 C4 117.3(6) . . ?
C9 N2 C10 112.2(5) . . ?
C9 N2 H2A 123.9 . . ?
C10 N2 H2A 123.9 . . ?
C20 N3 C21 111.4(5) . . ?
C20 N3 H3A 124.3 . . ?
C21 N3 H3A 124.3 . . ?
C11 O4 H4 109.5 . . ?
C22 O6 H6A 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
C6 C1 C2 C3 -0.6(9) . . . . ?
C7 C1 C2 C3 174.2(6) . . . . ?
C1 C2 C3 C4 -1.9(10) . . . . ?
C2 C3 C4 C5 3.4(10) . . . . ?
C2 C3 C4 N1 -177.9(6) . . . . ?
C3 C4 C5 C6 -2.4(9) . . . . ?
N1 C4 C5 C6 178.9(6) . . . . ?
C2 C1 C6 C5 1.6(9) . . . . ?
C7 C1 C6 C5 -173.1(6) . . . . ?
C4 C5 C6 C1 -0.2(10) . . . . ?
C6 C1 C7 C19 -155.5(5) . . . . ?
C2 C1 C7 C19 30.0(8) . . . . ?
C6 C1 C7 C8 -25.3(8) . . . . ?
C2 C1 C7 C8 160.2(5) . . . . ?
C19 C7 C8 C11 -118.9(6) . . . . ?
C1 C7 C8 C11 110.5(7) . . . . ?
C19 C7 C8 C9 63.9(7) . . . . ?
C1 C7 C8 C9 -66.6(7) . . . . ?
C11 C8 C9 O3 -179.4(6) . . . . ?
C7 C8 C9 O3 -1.7(10) . . . . ?
C11 C8 C9 N2 -0.6(7) . . . . ?
C7 C8 C9 N2 177.0(5) . . . . ?
C9 C8 C11 O4 179.8(6) . . . . ?
C7 C8 C11 O4 2.2(10) . . . . ?
C9 C8 C11 C10 -0.8(7) . . . . ?
C7 C8 C11 C10 -178.3(5) . . . . ?
N2 C10 C11 O4 -178.8(5) . . . . ?
C12 C10 C11 O4 -58.2(7) . . . . ?
N2 C10 C11 C8 1.8(6) . . . . ?
C12 C10 C11 C8 122.3(6) . . . . ?
N2 C10 C12 C13 59.5(7) . . . . ?
C11 C10 C12 C13 -53.9(7) . . . . ?
C10 C12 C13 C18 86.4(8) . . . . ?
C10 C12 C13 C14 -95.1(8) . . . . ?
C18 C13 C14 C15 1.5(12) . . . . ?
C12 C13 C14 C15 -177.1(8) . . . . ?
C13 C14 C15 C16 -1.6(15) . . . . ?
C14 C15 C16 C17 0.3(15) . . . . ?
C15 C16 C17 C18 1.1(12) . . . . ?
C14 C13 C18 C17 -0.1(10) . . . . ?
C12 C13 C18 C17 178.4(6) . . . . ?
C16 C17 C18 C13 -1.1(10) . . . . ?
C8 C7 C19 C22 -71.1(8) . . . . ?
C1 C7 C19 C22 59.4(9) . . . . ?
C8 C7 C19 C20 113.2(6) . . . . ?
C1 C7 C19 C20 -116.3(6) . . . . ?
C22 C19 C20 O5 178.5(6) . . . . ?
C7 C19 C20 O5 -4.8(9) . . . . ?
C22 C19 C20 N3 -0.5(7) . . . . ?
C7 C19 C20 N3 176.2(5) . . . . ?
C20 C19 C22 O6 -177.8(6) . . . . ?
C7 C19 C22 O6 6.1(11) . . . . ?
C20 C19 C22 C21 -2.1(7) . . . . ?
C7 C19 C22 C21 -178.2(6) . . . . ?
N3 C21 C22 C19 3.6(7) . . . . ?
C23 C21 C22 C19 126.1(6) . . . . ?
N3 C21 C22 O6 179.9(5) . . . . ?
C23 C21 C22 O6 -57.7(7) . . . . ?
N3 C21 C23 C24 60.3(7) . . . . ?
C22 C21 C23 C24 -55.5(8) . . . . ?
C21 C23 C24 C25 -90.5(8) . . . . ?
C21 C23 C24 C29 89.5(7) . . . . ?
C29 C24 C25 C26 -1.8(10) . . . . ?
C23 C24 C25 C26 178.2(7) . . . . ?
C24 C25 C26 C27 3.9(13) . . . . ?
C25 C26 C27 C28 -3.0(12) . . . . ?
C26 C27 C28 C29 0.2(11) . . . . ?
C27 C28 C29 C24 1.8(10) . . . . ?
C25 C24 C29 C28 -1.1(10) . . . . ?
C23 C24 C29 C28 178.9(6) . . . . ?
C3 C4 N1 O1 -175.7(7) . . . . ?
C5 C4 N1 O1 3.0(9) . . . . ?
C3 C4 N1 O2 4.5(9) . . . . ?
C5 C4 N1 O2 -176.8(6) . . . . ?
O3 C9 N2 C10 -179.3(6) . . . . ?
C8 C9 N2 C10 1.9(7) . . . . ?
C11 C10 N2 C9 -2.2(7) . . . . ?
C12 C10 N2 C9 -123.6(6) . . . . ?
O5 C20 N3 C21 -176.1(6) . . . . ?
C19 C20 N3 C21 2.9(7) . . . . ?
C22 C21 N3 C20 -3.9(6) . . . . ?
C23 C21 N3 C20 -129.3(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.955
_diffrn_reflns_theta_full        68.00
_diffrn_measured_fraction_theta_full 0.956
_refine_diff_density_max         1.097
_refine_diff_density_min         -0.429
_refine_diff_density_rms         0.134
_database_code_depnum_ccdc_archive 'CCDC 963494'
