# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A
# This journal is © The Royal Society of Chemistry 2013

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  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.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_bo2367

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C8 H20 N14 O10'
_chemical_formula_weight         472.38

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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.359(2)
_cell_length_b                   9.487(3)
_cell_length_c                   14.286(4)
_cell_angle_alpha                96.444(19)
_cell_angle_beta                 101.750(11)
_cell_angle_gamma                101.692(13)
_cell_volume                     943.9(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    2830
_cell_measurement_theta_min      2.462
_cell_measurement_theta_max      29.127

_exptl_crystal_description       Prism
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.662
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             492
_exptl_absorpt_coefficient_mu    0.149
_exptl_absorpt_correction_type   Multi-scans
_exptl_absorpt_correction_T_min  0.9455
_exptl_absorpt_correction_T_max  0.9896
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  AFC10/Saturn724+
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            12783
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_sigmaI/netI    0.0486
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.86
_diffrn_reflns_theta_max         29.14
_reflns_number_total             5020
_reflns_number_gt                3456
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_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 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^)+(0.0985P)^2^+0.6960P] 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_number_reflns         5020
_refine_ls_number_parameters     343
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1041
_refine_ls_R_factor_gt           0.0681
_refine_ls_wR_factor_ref         0.1961
_refine_ls_wR_factor_gt          0.1694
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_restrained_S_all      1.004
_refine_ls_shift/su_max          0.001
_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 0.5752(3) 0.6287(2) 0.43063(14) 0.0315(5) Uani 1 1 d . . .
O2 O 1.2393(3) 1.18363(19) 0.76119(13) 0.0226(4) Uani 1 1 d . . .
O3 O 1.2337(3) 1.0828(2) 0.89059(12) 0.0226(4) Uani 1 1 d . . .
O4 O 0.9896(3) 0.83724(19) 0.87057(12) 0.0214(4) Uani 1 1 d . . .
O5 O 0.8047(2) 0.76189(19) 0.72605(13) 0.0206(4) Uani 1 1 d . . .
O6 O 1.2165(2) 0.74278(19) 0.28193(13) 0.0216(4) Uani 1 1 d . . .
O7 O 1.0275(3) 0.6760(2) 0.13768(13) 0.0223(4) Uani 1 1 d . . .
O8 O 0.7791(3) 0.4325(2) 0.11350(12) 0.0237(4) Uani 1 1 d . . .
O9 O 0.7732(2) 0.32299(18) 0.23920(12) 0.0188(4) Uani 1 1 d . . .
O10 O 1.3727(3) 0.7853(2) 0.60596(14) 0.0295(5) Uani 1 1 d . . .
H0A H 1.4708 0.7893 0.5827 0.035 Uiso 1 1 d R . .
H0B H 1.3500 0.7051 0.6281 0.035 Uiso 1 1 d R . .
C1 C 0.8783(3) 0.6528(3) 0.44491(17) 0.0179(5) Uani 1 1 d . . .
C2 C 0.8464(4) 0.7655(3) 0.51262(17) 0.0186(5) Uani 1 1 d . . .
C3 C 0.9424(3) 0.9800(3) 0.64179(16) 0.0171(5) Uani 1 1 d . . .
H3A H 0.8024 0.9675 0.6303 0.020 Uiso 1 1 calc R . .
H3B H 0.9966 1.0780 0.6285 0.020 Uiso 1 1 calc R . .
C4 C 1.0205(3) 0.9722(2) 0.74584(17) 0.0152(5) Uani 1 1 d . . .
C5 C 1.0719(3) 0.5219(3) 0.36213(16) 0.0158(5) Uani 1 1 d . . .
H5A H 1.0082 0.4258 0.3747 0.019 Uiso 1 1 calc R . .
H5B H 1.2095 0.5243 0.3709 0.019 Uiso 1 1 calc R . .
C6 C 0.9931(3) 0.5351(2) 0.25942(16) 0.0141(4) Uani 1 1 d . . .
C7 C 0.3582(3) 0.5052(3) 0.11400(17) 0.0153(5) Uani 1 1 d . . .
C8 C 0.3722(3) 0.0150(3) 0.12173(17) 0.0158(5) Uani 1 1 d . . .
N1 N 0.7144(3) 0.5695(3) 0.39611(16) 0.0252(5) Uani 1 1 d . . .
N2 N 0.6634(3) 0.7508(3) 0.50357(17) 0.0273(5) Uani 1 1 d . . .
N3 N 0.9842(3) 0.8699(2) 0.57419(15) 0.0173(4) Uani 1 1 d . . .
H3N H 1.109(4) 0.852(3) 0.571(2) 0.021 Uiso 1 1 d . . .
N4 N 1.1692(3) 1.0818(2) 0.80257(14) 0.0156(4) Uani 1 1 d . . .
N5 N 0.9391(3) 0.8550(2) 0.78434(14) 0.0157(4) Uani 1 1 d . . .
N6 N 1.0494(3) 0.6350(2) 0.43367(14) 0.0178(4) Uani 1 1 d . . .
H6N H 1.154(4) 0.704(3) 0.475(2) 0.021 Uiso 1 1 d . . .
N7 N 1.0788(3) 0.6541(2) 0.22292(14) 0.0153(4) Uani 1 1 d . . .
N8 N 0.8446(3) 0.4287(2) 0.20123(14) 0.0147(4) Uani 1 1 d . . .
N9 N 0.4125(3) 0.4832(3) 0.20494(16) 0.0213(5) Uani 1 1 d . . .
N10 N 0.2179(3) 0.4076(3) 0.05311(17) 0.0209(5) Uani 1 1 d . . .
N11 N 0.4437(3) 0.6237(2) 0.08500(17) 0.0218(5) Uani 1 1 d . . .
N12 N 0.4269(3) -0.0050(2) 0.21298(16) 0.0204(4) Uani 1 1 d . . .
N13 N 0.2418(3) -0.0869(2) 0.05894(17) 0.0211(5) Uani 1 1 d . . .
N14 N 0.4511(3) 0.1362(3) 0.09336(18) 0.0217(5) Uani 1 1 d . . .
H9A H 0.350(5) 0.397(4) 0.222(3) 0.044(10) Uiso 1 1 d . . .
H9B H 0.508(6) 0.549(4) 0.251(3) 0.051(11) Uiso 1 1 d . . .
H10A H 0.193(5) 0.417(4) 0.000(3) 0.040(11) Uiso 1 1 d . . .
H10B H 0.164(5) 0.335(4) 0.075(2) 0.030(9) Uiso 1 1 d . . .
H11A H 0.538(5) 0.670(4) 0.119(2) 0.028(9) Uiso 1 1 d . . .
H11B H 0.408(5) 0.640(4) 0.027(3) 0.033(9) Uiso 1 1 d . . .
H12A H 0.502(5) 0.071(4) 0.264(2) 0.030(8) Uiso 1 1 d . . .
H12B H 0.367(5) -0.094(4) 0.231(2) 0.037(9) Uiso 1 1 d . . .
H13A H 0.190(5) -0.151(4) 0.081(2) 0.028(9) Uiso 1 1 d . . .
H13B H 0.215(5) -0.071(4) -0.001(3) 0.043(10) Uiso 1 1 d . . .
H14A H 0.542(6) 0.189(4) 0.128(3) 0.047(11) Uiso 1 1 d . . .
H14B H 0.421(5) 0.149(4) 0.037(3) 0.045(11) Uiso 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 0.0169(9) 0.0420(12) 0.0282(10) -0.0102(9) 0.0010(7) 0.0031(8)
O2 0.0235(9) 0.0192(9) 0.0213(9) 0.0077(7) 0.0029(7) -0.0040(7)
O3 0.0253(9) 0.0228(9) 0.0140(8) 0.0045(7) -0.0027(7) -0.0012(7)
O4 0.0241(9) 0.0229(9) 0.0141(8) 0.0064(7) 0.0027(7) -0.0013(7)
O5 0.0185(8) 0.0176(8) 0.0200(9) 0.0002(7) 0.0018(7) -0.0045(7)
O6 0.0200(9) 0.0188(9) 0.0203(9) 0.0018(7) 0.0019(7) -0.0044(7)
O7 0.0249(9) 0.0236(9) 0.0160(9) 0.0077(7) 0.0028(7) -0.0007(7)
O8 0.0245(9) 0.0279(10) 0.0130(8) 0.0072(7) -0.0019(7) -0.0025(8)
O9 0.0194(8) 0.0162(8) 0.0177(9) 0.0055(7) 0.0029(7) -0.0030(7)
O10 0.0230(10) 0.0341(11) 0.0312(11) 0.0070(9) 0.0083(8) 0.0031(8)
C1 0.0186(11) 0.0196(12) 0.0136(11) 0.0053(9) 0.0022(9) 0.0006(9)
C2 0.0196(11) 0.0211(12) 0.0147(11) 0.0043(9) 0.0039(9) 0.0035(9)
C3 0.0212(11) 0.0152(11) 0.0142(11) 0.0030(9) 0.0031(9) 0.0034(9)
C4 0.0170(11) 0.0130(11) 0.0140(11) 0.0002(9) 0.0036(8) 0.0008(9)
C5 0.0161(10) 0.0173(11) 0.0127(11) 0.0020(9) 0.0008(8) 0.0034(9)
C6 0.0148(10) 0.0139(11) 0.0129(10) 0.0032(9) 0.0026(8) 0.0020(8)
C7 0.0144(10) 0.0164(11) 0.0152(11) 0.0006(9) 0.0039(8) 0.0043(9)
C8 0.0153(10) 0.0153(11) 0.0180(11) 0.0031(9) 0.0064(9) 0.0035(9)
N1 0.0189(10) 0.0324(12) 0.0214(11) -0.0004(10) 0.0044(8) 0.0022(9)
N2 0.0197(11) 0.0345(13) 0.0235(12) -0.0045(10) 0.0023(9) 0.0046(9)
N3 0.0177(9) 0.0170(10) 0.0164(10) -0.0003(8) 0.0052(8) 0.0025(8)
N4 0.0152(9) 0.0153(9) 0.0161(10) 0.0038(8) 0.0037(7) 0.0022(8)
N5 0.0151(9) 0.0177(10) 0.0139(9) 0.0027(8) 0.0040(7) 0.0024(8)
N6 0.0138(9) 0.0213(11) 0.0139(10) -0.0032(8) 0.0012(7) -0.0010(8)
N7 0.0147(9) 0.0144(9) 0.0166(10) 0.0013(8) 0.0040(7) 0.0032(7)
N8 0.0149(9) 0.0148(9) 0.0138(9) 0.0038(8) 0.0028(7) 0.0015(7)
N9 0.0211(10) 0.0244(12) 0.0143(10) 0.0025(9) 0.0003(8) 0.0003(9)
N10 0.0223(11) 0.0199(11) 0.0149(11) 0.0054(9) -0.0002(8) -0.0048(9)
N11 0.0197(11) 0.0206(11) 0.0193(11) 0.0040(9) -0.0004(9) -0.0041(9)
N12 0.0234(11) 0.0194(11) 0.0173(10) 0.0046(9) 0.0038(8) 0.0023(9)
N13 0.0240(11) 0.0171(11) 0.0178(11) 0.0054(9) 0.0022(9) -0.0038(9)
N14 0.0207(11) 0.0205(11) 0.0181(11) 0.0049(9) -0.0007(9) -0.0043(9)

_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 1.409(3) . ?
O1 N2 1.414(3) . ?
O2 N4 1.265(3) . ?
O3 N4 1.249(3) . ?
O4 N5 1.253(3) . ?
O5 N5 1.264(3) . ?
O6 N7 1.262(3) . ?
O7 N7 1.253(3) . ?
O8 N8 1.255(2) . ?
O9 N8 1.265(3) . ?
O10 H0A 0.8500 . ?
O10 H0B 0.8546 . ?
C1 N1 1.309(3) . ?
C1 N6 1.342(3) . ?
C1 C2 1.448(3) . ?
C2 N2 1.303(3) . ?
C2 N3 1.348(3) . ?
C3 N3 1.464(3) . ?
C3 C4 1.496(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 N5 1.378(3) . ?
C4 N4 1.387(3) . ?
C5 N6 1.455(3) . ?
C5 C6 1.493(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 N8 1.378(3) . ?
C6 N7 1.386(3) . ?
C7 N10 1.321(3) . ?
C7 N11 1.325(3) . ?
C7 N9 1.332(3) . ?
C8 N13 1.319(3) . ?
C8 N14 1.324(3) . ?
C8 N12 1.330(3) . ?
N3 H3N 0.97(3) . ?
N6 H6N 0.94(3) . ?
N9 H9A 0.93(4) . ?
N9 H9B 0.93(4) . ?
N10 H10A 0.76(4) . ?
N10 H10B 0.84(4) . ?
N11 H11A 0.78(3) . ?
N11 H11B 0.86(4) . ?
N12 H12A 0.96(3) . ?
N12 H12B 0.96(4) . ?
N13 H13A 0.78(4) . ?
N13 H13B 0.87(4) . ?
N14 H14A 0.79(4) . ?
N14 H14B 0.81(4) . ?

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 N2 110.24(18) . . ?
H0A O10 H0B 108.5 . . ?
N1 C1 N6 124.7(2) . . ?
N1 C1 C2 109.7(2) . . ?
N6 C1 C2 125.6(2) . . ?
N2 C2 N3 125.6(2) . . ?
N2 C2 C1 109.1(2) . . ?
N3 C2 C1 125.3(2) . . ?
N3 C3 C4 113.38(19) . . ?
N3 C3 H3A 108.9 . . ?
C4 C3 H3A 108.9 . . ?
N3 C3 H3B 108.9 . . ?
C4 C3 H3B 108.9 . . ?
H3A C3 H3B 107.7 . . ?
N5 C4 N4 120.8(2) . . ?
N5 C4 C3 118.5(2) . . ?
N4 C4 C3 120.7(2) . . ?
N6 C5 C6 114.64(19) . . ?
N6 C5 H5A 108.6 . . ?
C6 C5 H5A 108.6 . . ?
N6 C5 H5B 108.6 . . ?
C6 C5 H5B 108.6 . . ?
H5A C5 H5B 107.6 . . ?
N8 C6 N7 120.8(2) . . ?
N8 C6 C5 120.9(2) . . ?
N7 C6 C5 118.18(19) . . ?
N10 C7 N11 120.4(2) . . ?
N10 C7 N9 119.3(2) . . ?
N11 C7 N9 120.3(2) . . ?
N13 C8 N14 119.9(2) . . ?
N13 C8 N12 120.1(2) . . ?
N14 C8 N12 120.0(2) . . ?
C1 N1 O1 105.2(2) . . ?
C2 N2 O1 105.7(2) . . ?
C2 N3 C3 122.6(2) . . ?
C2 N3 H3N 109.6(17) . . ?
C3 N3 H3N 127.4(17) . . ?
O3 N4 O2 120.17(19) . . ?
O3 N4 C4 122.9(2) . . ?
O2 N4 C4 116.94(19) . . ?
O4 N5 O5 120.12(19) . . ?
O4 N5 C4 124.51(19) . . ?
O5 N5 C4 115.37(19) . . ?
C1 N6 C5 122.9(2) . . ?
C1 N6 H6N 114.1(18) . . ?
C5 N6 H6N 122.9(18) . . ?
O7 N7 O6 120.47(19) . . ?
O7 N7 C6 124.09(19) . . ?
O6 N7 C6 115.44(19) . . ?
O8 N8 O9 119.44(18) . . ?
O8 N8 C6 123.04(19) . . ?
O9 N8 C6 117.52(19) . . ?
C7 N9 H9A 117(2) . . ?
C7 N9 H9B 123(2) . . ?
H9A N9 H9B 120(3) . . ?
C7 N10 H10A 119(3) . . ?
C7 N10 H10B 117(2) . . ?
H10A N10 H10B 124(3) . . ?
C7 N11 H11A 117(2) . . ?
C7 N11 H11B 121(2) . . ?
H11A N11 H11B 121(3) . . ?
C8 N12 H12A 123.9(19) . . ?
C8 N12 H12B 118(2) . . ?
H12A N12 H12B 117(3) . . ?
C8 N13 H13A 116(2) . . ?
C8 N13 H13B 117(2) . . ?
H13A N13 H13B 127(3) . . ?
C8 N14 H14A 119(3) . . ?
C8 N14 H14B 121(3) . . ?
H14A N14 H14B 119(4) . . ?

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 C1 C2 N2 -0.8(3) . . . . ?
N6 C1 C2 N2 179.6(2) . . . . ?
N1 C1 C2 N3 -180.0(2) . . . . ?
N6 C1 C2 N3 0.4(4) . . . . ?
N3 C3 C4 N5 -69.8(3) . . . . ?
N3 C3 C4 N4 111.3(2) . . . . ?
N6 C5 C6 N8 -116.7(2) . . . . ?
N6 C5 C6 N7 66.0(3) . . . . ?
N6 C1 N1 O1 -179.5(2) . . . . ?
C2 C1 N1 O1 0.9(3) . . . . ?
N2 O1 N1 C1 -0.7(3) . . . . ?
N3 C2 N2 O1 179.5(2) . . . . ?
C1 C2 N2 O1 0.3(3) . . . . ?
N1 O1 N2 C2 0.3(3) . . . . ?
N2 C2 N3 C3 1.6(4) . . . . ?
C1 C2 N3 C3 -179.3(2) . . . . ?
C4 C3 N3 C2 117.4(2) . . . . ?
N5 C4 N4 O3 -1.8(3) . . . . ?
C3 C4 N4 O3 177.1(2) . . . . ?
N5 C4 N4 O2 178.2(2) . . . . ?
C3 C4 N4 O2 -2.9(3) . . . . ?
N4 C4 N5 O4 0.1(3) . . . . ?
C3 C4 N5 O4 -178.9(2) . . . . ?
N4 C4 N5 O5 180.0(2) . . . . ?
C3 C4 N5 O5 1.0(3) . . . . ?
N1 C1 N6 C5 2.3(4) . . . . ?
C2 C1 N6 C5 -178.1(2) . . . . ?
C6 C5 N6 C1 63.2(3) . . . . ?
N8 C6 N7 O7 1.6(3) . . . . ?
C5 C6 N7 O7 178.9(2) . . . . ?
N8 C6 N7 O6 -178.3(2) . . . . ?
C5 C6 N7 O6 -1.0(3) . . . . ?
N7 C6 N8 O8 0.2(3) . . . . ?
C5 C6 N8 O8 -177.0(2) . . . . ?
N7 C6 N8 O9 179.9(2) . . . . ?
C5 C6 N8 O9 2.7(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        29.14
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.903
_refine_diff_density_min         -0.300
_refine_diff_density_rms         0.085

_database_code_depnum_ccdc_archive 'CCDC 937044'