data_x1203017
_audit_creation_date              2012-04-03
_audit_creation_method
;
  Olex2 1.2-beta
  (compiled Mar 20 2012 17:37:33, GUI svn.r4124)
;
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_chemical_name_common             ?
_chemical_name_systematic
;
 ? 
;
_chemical_formula_moiety          'C18 H30 N2 O6'
_chemical_formula_sum             'C18 H30 N2 O6'
_chemical_formula_weight          370.44
_chemical_melting_point           ?
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            14
_space_group_name_H-M_alt         'P 1 21/n 1'
_space_group_name_Hall            '-P 2yn'
loop_
  _space_group_symop_id
  _space_group_symop_operation_xyz
 1 'x, y, z'
 2 '-x+1/2, y+1/2, -z+1/2'
 3 '-x, -y, -z'
 4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                    10.7574(3)
_cell_length_b                    12.2142(3)
_cell_length_c                    15.6004(4)
_cell_angle_alpha                 90.00
_cell_angle_beta                  108.304(2)
_cell_angle_gamma                 90.00
_cell_volume                      1946.07(9)
_cell_formula_units_Z             4
_cell_measurement_reflns_used     8113
_cell_measurement_temperature     100
_cell_measurement_theta_max       70.14
_cell_measurement_theta_min       4.69
_exptl_absorpt_coefficient_mu     0.783
_exptl_absorpt_correction_T_max   1.0000
_exptl_absorpt_correction_T_min   0.9333
_exptl_absorpt_correction_type    'none'
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
R(int) was 0.0518 before and 0.0426 after correction.
The Ratio of minimum to maximum transmission is 0.9333.
The \l/2 correction factor is 0.0015.
;
_exptl_crystal_colour             'clear colourless'
_exptl_crystal_colour_lustre      clear
_exptl_crystal_colour_primary     colourless
_exptl_crystal_density_diffrn     1.264
_exptl_crystal_density_meas       .
_exptl_crystal_density_method     'not measured'
_exptl_crystal_description        'block'
_exptl_crystal_F_000              800
_exptl_crystal_size_max           0.206
_exptl_crystal_size_mid           0.1
_exptl_crystal_size_min           0.077
_exptl_special_details
;
 ? 
;
_diffrn_reflns_av_R_equivalents   0.0349
_diffrn_reflns_av_unetI/netI      0.0367
_diffrn_reflns_limit_h_max        13
_diffrn_reflns_limit_h_min        -12
_diffrn_reflns_limit_k_max        11
_diffrn_reflns_limit_k_min        -14
_diffrn_reflns_limit_l_max        18
_diffrn_reflns_limit_l_min        -19
_diffrn_reflns_number             18193
_diffrn_reflns_theta_full         70.14
_diffrn_reflns_theta_max          70.14
_diffrn_reflns_theta_min          4.42
_diffrn_ambient_temperature       100
_diffrn_detector_area_resol_mean  8
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type   'Bruker APEX-II CCD'
_diffrn_measurement_method        '\f and \w scans'
_diffrn_radiation_monochromator   'graphite'
_diffrn_radiation_type            'CuK\a'
_diffrn_radiation_wavelength      0.71073
_diffrn_source                    'sealed tube'
_diffrn_standards_number          0
_reflns_number_gt                 2858
_reflns_number_total              3668
_reflns_threshold_expression      >2sigma(I)
_computing_cell_refinement        ?
_computing_data_collection        ?
_computing_data_reduction         ?
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
olex2.solve (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard,
H. Puschmann, in preparation, 2011)
;
_refine_diff_density_max          0.501
_refine_diff_density_min          -0.452
_refine_diff_density_rms          0.049
_refine_ls_extinction_coef        ?
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.044
_refine_ls_hydrogen_treatment     constr
_refine_ls_matrix_type            full
_refine_ls_number_parameters      243
_refine_ls_number_reflns          3668
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0600
_refine_ls_R_factor_gt            0.0440
_refine_ls_restrained_S_all       1.044
_refine_ls_shift/su_max           0.000
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0466P)^2^+0.9615P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.1019
_refine_ls_wR_factor_ref          0.1111
_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. 
;
_atom_sites_solution_hydrogens    geom
_atom_sites_solution_primary      iterative
_atom_sites_solution_secondary    difmap
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 0.50324(13) 0.82103(11) 0.52743(9) 0.0210(3) Uani 1 1 d . . .
 O2 O 0.71672(12) 0.79089(10) 0.62448(8) 0.0187(3) Uani 1 1 d . . .
 O3 O 1.07188(13) 0.80852(12) 0.60780(9) 0.0244(3) Uani 1 1 d . . .
 O4 O 0.93180(12) 0.70059(11) 0.50375(8) 0.0181(3) Uani 1 1 d . . .
 O5 O 0.90939(14) 0.53053(12) 0.64492(10) 0.0307(4) Uani 1 1 d . . .
 O6 O 0.53292(13) 0.51570(11) 0.36176(9) 0.0224(3) Uani 1 1 d . . .
 N1 N 0.66758(14) 0.66378(12) 0.40280(10) 0.0163(3) Uani 1 1 d . . .
 H1 H 0.7117 0.7131 0.3831 0.020 Uiso 1 1 calc R . .
 N2 N 0.67871(15) 0.55080(13) 0.28650(10) 0.0186(3) Uani 1 1 d . . .
 C1 C 0.50172(18) 0.71813(15) 0.48103(13) 0.0199(4) Uani 1 1 d . . .
 H1A H 0.4602 0.6609 0.5090 0.024 Uiso 1 1 calc R . .
 C2 C 0.58622(19) 0.82861(16) 0.61750(13) 0.0206(4) Uani 1 1 d . . .
 C3 C 0.74372(17) 0.77227(15) 0.54135(12) 0.0163(4) Uani 1 1 d . . .
 C4 C 0.87550(18) 0.71163(15) 0.57560(11) 0.0176(4) Uani 1 1 d . . .
 C5 C 0.83492(18) 0.59668(16) 0.59794(12) 0.0197(4) Uani 1 1 d . . .
 C6 C 0.69043(17) 0.58054(15) 0.55111(12) 0.0181(4) Uani 1 1 d . . .
 H6A H 0.6426 0.5755 0.5958 0.022 Uiso 1 1 calc R . .
 H6B H 0.6747 0.5127 0.5146 0.022 Uiso 1 1 calc R . .
 C7 C 0.64523(17) 0.68194(15) 0.48992(12) 0.0160(4) Uani 1 1 d . . .
 C8 C 0.41373(19) 0.74040(18) 0.38583(13) 0.0270(5) Uani 1 1 d . . .
 H8A H 0.3305 0.7710 0.3878 0.041 Uiso 1 1 calc R . .
 H8B H 0.3973 0.6719 0.3514 0.041 Uiso 1 1 calc R . .
 H8C H 0.4565 0.7928 0.3566 0.041 Uiso 1 1 calc R . .
 C9 C 0.5405(2) 0.75917(17) 0.68266(13) 0.0256(4) Uani 1 1 d . . .
 H9A H 0.4538 0.7841 0.6826 0.038 Uiso 1 1 calc R . .
 H9B H 0.6027 0.7663 0.7436 0.038 Uiso 1 1 calc R . .
 H9C H 0.5354 0.6823 0.6638 0.038 Uiso 1 1 calc R . .
 C10 C 0.5921(2) 0.94921(17) 0.64192(14) 0.0279(5) Uani 1 1 d . . .
 H10A H 0.6169 0.9918 0.5966 0.042 Uiso 1 1 calc R . .
 H10B H 0.6571 0.9604 0.7013 0.042 Uiso 1 1 calc R . .
 H10C H 0.5060 0.9733 0.6436 0.042 Uiso 1 1 calc R . .
 C11 C 0.75004(18) 0.87748(15) 0.49057(12) 0.0201(4) Uani 1 1 d . . .
 H11A H 0.6625 0.9101 0.4682 0.030 Uiso 1 1 calc R . .
 H11B H 0.7816 0.8610 0.4395 0.030 Uiso 1 1 calc R . .
 H11C H 0.8101 0.9291 0.5313 0.030 Uiso 1 1 calc R . .
 C12 C 0.98329(18) 0.76681(17) 0.65165(12) 0.0231(4) Uani 1 1 d . . .
 H12A H 0.9471 0.8268 0.6793 0.028 Uiso 1 1 calc R . .
 H12B H 1.0275 0.7133 0.6991 0.028 Uiso 1 1 calc R . .
 C13 C 1.06726(18) 0.73565(16) 0.53649(12) 0.0206(4) Uani 1 1 d . . .
 C14 C 1.0973(2) 0.7998(2) 0.46269(14) 0.0322(5) Uani 1 1 d . . .
 H14A H 1.0868 0.7523 0.4103 0.048 Uiso 1 1 calc R . .
 H14B H 1.1876 0.8268 0.4847 0.048 Uiso 1 1 calc R . .
 H14C H 1.0370 0.8620 0.4452 0.048 Uiso 1 1 calc R . .
 C15 C 1.1538(2) 0.63695(19) 0.56745(15) 0.0320(5) Uani 1 1 d . . .
 H15A H 1.1296 0.5994 0.6154 0.048 Uiso 1 1 calc R . .
 H15B H 1.2455 0.6604 0.5906 0.048 Uiso 1 1 calc R . .
 H15C H 1.1427 0.5869 0.5165 0.048 Uiso 1 1 calc R . .
 C16 C 0.62182(17) 0.57240(15) 0.35113(11) 0.0165(4) Uani 1 1 d . . .
 C17 C 0.6249(2) 0.46445(16) 0.22124(12) 0.0244(4) Uani 1 1 d . . .
 H17A H 0.6862 0.4028 0.2326 0.037 Uiso 1 1 calc R . .
 H17B H 0.6110 0.4925 0.1601 0.037 Uiso 1 1 calc R . .
 H17C H 0.5411 0.4399 0.2270 0.037 Uiso 1 1 calc R . .
 C18 C 0.79388(18) 0.60864(16) 0.27967(12) 0.0215(4) Uani 1 1 d . . .
 H18A H 0.7704 0.6845 0.2612 0.032 Uiso 1 1 calc R . .
 H18B H 0.8262 0.5724 0.2348 0.032 Uiso 1 1 calc R . .
 H18C H 0.8624 0.6078 0.3385 0.032 Uiso 1 1 calc R . .

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 0.0213(7) 0.0200(7) 0.0234(7) -0.0039(5) 0.0095(6) 0.0033(5)
 O2 0.0193(7) 0.0223(7) 0.0172(6) -0.0034(5) 0.0094(5) -0.0011(5)
 O3 0.0195(7) 0.0319(8) 0.0230(7) -0.0057(6) 0.0084(6) -0.0055(6)
 O4 0.0141(6) 0.0255(7) 0.0164(6) -0.0023(5) 0.0073(5) -0.0009(5)
 O5 0.0256(8) 0.0306(8) 0.0337(8) 0.0134(7) 0.0062(6) 0.0042(6)
 O6 0.0222(7) 0.0240(7) 0.0239(7) -0.0046(6) 0.0115(6) -0.0067(6)
 N1 0.0161(7) 0.0172(8) 0.0179(7) -0.0019(6) 0.0088(6) -0.0022(6)
 N2 0.0211(8) 0.0193(8) 0.0175(7) -0.0016(6) 0.0092(6) -0.0020(6)
 C1 0.0172(9) 0.0200(10) 0.0253(10) -0.0032(8) 0.0107(8) -0.0001(7)
 C2 0.0220(10) 0.0211(10) 0.0216(9) -0.0037(7) 0.0111(8) 0.0020(8)
 C3 0.0170(9) 0.0178(9) 0.0162(8) -0.0027(7) 0.0083(7) -0.0016(7)
 C4 0.0171(9) 0.0229(10) 0.0143(8) 0.0000(7) 0.0072(7) -0.0001(7)
 C5 0.0215(9) 0.0229(10) 0.0169(8) 0.0017(7) 0.0094(8) 0.0006(8)
 C6 0.0206(9) 0.0180(10) 0.0189(9) 0.0011(7) 0.0107(8) -0.0005(7)
 C7 0.0157(9) 0.0163(9) 0.0177(8) -0.0016(7) 0.0079(7) -0.0014(7)
 C8 0.0167(9) 0.0340(12) 0.0299(11) -0.0069(9) 0.0066(8) 0.0037(8)
 C9 0.0268(10) 0.0295(11) 0.0268(10) -0.0024(8) 0.0174(9) 0.0012(9)
 C10 0.0326(11) 0.0240(11) 0.0302(11) -0.0056(8) 0.0142(9) 0.0025(9)
 C11 0.0214(9) 0.0181(10) 0.0227(9) -0.0008(7) 0.0097(8) -0.0021(7)
 C12 0.0194(9) 0.0325(11) 0.0188(9) -0.0043(8) 0.0078(8) -0.0041(8)
 C13 0.0139(9) 0.0278(11) 0.0198(9) -0.0026(8) 0.0050(8) -0.0020(8)
 C14 0.0252(11) 0.0455(14) 0.0289(11) 0.0035(10) 0.0131(9) -0.0065(10)
 C15 0.0199(10) 0.0350(13) 0.0381(12) -0.0030(10) 0.0047(9) 0.0064(9)
 C16 0.0159(8) 0.0178(9) 0.0158(8) 0.0019(7) 0.0047(7) 0.0017(7)
 C17 0.0347(11) 0.0220(11) 0.0189(9) -0.0049(8) 0.0119(9) -0.0032(8)
 C18 0.0200(9) 0.0271(11) 0.0213(9) -0.0004(8) 0.0119(8) -0.0004(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 C1 1.448(2) . ?
 O1 C2 1.411(2) . ?
 O2 C2 1.449(2) . ?
 O2 C3 1.433(2) . ?
 O3 C12 1.430(2) . ?
 O3 C13 1.413(2) . ?
 O4 C4 1.438(2) . ?
 O4 C13 1.449(2) . ?
 O5 C5 1.209(2) . ?
 O6 C16 1.233(2) . ?
 N1 H1 0.8800 . ?
 N1 C7 1.469(2) . ?
 N1 C16 1.374(2) . ?
 N2 C16 1.359(2) . ?
 N2 C17 1.454(2) . ?
 N2 C18 1.459(2) . ?
 C1 H1A 1.0000 . ?
 C1 C7 1.569(2) . ?
 C1 C8 1.514(3) . ?
 C2 C9 1.520(3) . ?
 C2 C10 1.518(3) . ?
 C3 C4 1.539(2) . ?
 C3 C7 1.565(2) . ?
 C3 C11 1.522(2) . ?
 C4 C5 1.542(3) . ?
 C4 C12 1.530(2) . ?
 C5 C6 1.508(2) . ?
 C6 H6A 0.9900 . ?
 C6 H6B 0.9900 . ?
 C6 C7 1.546(2) . ?
 C8 H8A 0.9800 . ?
 C8 H8B 0.9800 . ?
 C8 H8C 0.9800 . ?
 C9 H9A 0.9800 . ?
 C9 H9B 0.9800 . ?
 C9 H9C 0.9800 . ?
 C10 H10A 0.9800 . ?
 C10 H10B 0.9800 . ?
 C10 H10C 0.9800 . ?
 C11 H11A 0.9800 . ?
 C11 H11B 0.9800 . ?
 C11 H11C 0.9800 . ?
 C12 H12A 0.9900 . ?
 C12 H12B 0.9900 . ?
 C13 C14 1.509(3) . ?
 C13 C15 1.507(3) . ?
 C14 H14A 0.9800 . ?
 C14 H14B 0.9800 . ?
 C14 H14C 0.9800 . ?
 C15 H15A 0.9800 . ?
 C15 H15B 0.9800 . ?
 C15 H15C 0.9800 . ?
 C17 H17A 0.9800 . ?
 C17 H17B 0.9800 . ?
 C17 H17C 0.9800 . ?
 C18 H18A 0.9800 . ?
 C18 H18B 0.9800 . ?
 C18 H18C 0.9800 . ?

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
 C2 O1 C1 117.32(14) . . ?
 C3 O2 C2 116.70(13) . . ?
 C13 O3 C12 106.75(14) . . ?
 C4 O4 C13 108.70(13) . . ?
 C7 N1 H1 118.9 . . ?
 C16 N1 H1 118.9 . . ?
 C16 N1 C7 122.19(14) . . ?
 C16 N2 C17 119.15(15) . . ?
 C16 N2 C18 123.41(15) . . ?
 C17 N2 C18 117.44(15) . . ?
 O1 C1 H1A 109.0 . . ?
 O1 C1 C7 110.12(14) . . ?
 O1 C1 C8 103.88(15) . . ?
 C7 C1 H1A 109.0 . . ?
 C8 C1 H1A 109.0 . . ?
 C8 C1 C7 115.58(15) . . ?
 O1 C2 O2 110.42(14) . . ?
 O1 C2 C9 113.14(16) . . ?
 O1 C2 C10 106.08(16) . . ?
 O2 C2 C9 106.38(15) . . ?
 O2 C2 C10 109.08(16) . . ?
 C10 C2 C9 111.74(16) . . ?
 O2 C3 C4 100.87(13) . . ?
 O2 C3 C7 106.19(13) . . ?
 O2 C3 C11 113.06(14) . . ?
 C4 C3 C7 103.90(14) . . ?
 C11 C3 C4 113.59(15) . . ?
 C11 C3 C7 117.51(15) . . ?
 O4 C4 C3 110.00(14) . . ?
 O4 C4 C5 108.01(14) . . ?
 O4 C4 C12 104.09(14) . . ?
 C3 C4 C5 102.79(14) . . ?
 C12 C4 C3 116.64(15) . . ?
 C12 C4 C5 115.15(15) . . ?
 O5 C5 C4 124.36(17) . . ?
 O5 C5 C6 126.29(18) . . ?
 C6 C5 C4 109.34(15) . . ?
 C5 C6 H6A 110.6 . . ?
 C5 C6 H6B 110.6 . . ?
 C5 C6 C7 105.72(14) . . ?
 H6A C6 H6B 108.7 . . ?
 C7 C6 H6A 110.6 . . ?
 C7 C6 H6B 110.6 . . ?
 N1 C7 C1 113.76(14) . . ?
 N1 C7 C3 107.43(14) . . ?
 N1 C7 C6 109.82(14) . . ?
 C3 C7 C1 109.60(14) . . ?
 C6 C7 C1 112.96(14) . . ?
 C6 C7 C3 102.54(14) . . ?
 C1 C8 H8A 109.5 . . ?
 C1 C8 H8B 109.5 . . ?
 C1 C8 H8C 109.5 . . ?
 H8A C8 H8B 109.5 . . ?
 H8A C8 H8C 109.5 . . ?
 H8B C8 H8C 109.5 . . ?
 C2 C9 H9A 109.5 . . ?
 C2 C9 H9B 109.5 . . ?
 C2 C9 H9C 109.5 . . ?
 H9A C9 H9B 109.5 . . ?
 H9A C9 H9C 109.5 . . ?
 H9B C9 H9C 109.5 . . ?
 C2 C10 H10A 109.5 . . ?
 C2 C10 H10B 109.5 . . ?
 C2 C10 H10C 109.5 . . ?
 H10A C10 H10B 109.5 . . ?
 H10A C10 H10C 109.5 . . ?
 H10B C10 H10C 109.5 . . ?
 C3 C11 H11A 109.5 . . ?
 C3 C11 H11B 109.5 . . ?
 C3 C11 H11C 109.5 . . ?
 H11A C11 H11B 109.5 . . ?
 H11A C11 H11C 109.5 . . ?
 H11B C11 H11C 109.5 . . ?
 O3 C12 C4 104.04(14) . . ?
 O3 C12 H12A 110.9 . . ?
 O3 C12 H12B 110.9 . . ?
 C4 C12 H12A 110.9 . . ?
 C4 C12 H12B 110.9 . . ?
 H12A C12 H12B 109.0 . . ?
 O3 C13 O4 104.26(14) . . ?
 O3 C13 C14 108.09(17) . . ?
 O3 C13 C15 112.70(16) . . ?
 O4 C13 C14 108.49(15) . . ?
 O4 C13 C15 109.16(16) . . ?
 C15 C13 C14 113.64(17) . . ?
 C13 C14 H14A 109.5 . . ?
 C13 C14 H14B 109.5 . . ?
 C13 C14 H14C 109.5 . . ?
 H14A C14 H14B 109.5 . . ?
 H14A C14 H14C 109.5 . . ?
 H14B C14 H14C 109.5 . . ?
 C13 C15 H15A 109.5 . . ?
 C13 C15 H15B 109.5 . . ?
 C13 C15 H15C 109.5 . . ?
 H15A C15 H15B 109.5 . . ?
 H15A C15 H15C 109.5 . . ?
 H15B C15 H15C 109.5 . . ?
 O6 C16 N1 121.81(16) . . ?
 O6 C16 N2 122.64(17) . . ?
 N2 C16 N1 115.53(15) . . ?
 N2 C17 H17A 109.5 . . ?
 N2 C17 H17B 109.5 . . ?
 N2 C17 H17C 109.5 . . ?
 H17A C17 H17B 109.5 . . ?
 H17A C17 H17C 109.5 . . ?
 H17B C17 H17C 109.5 . . ?
 N2 C18 H18A 109.5 . . ?
 N2 C18 H18B 109.5 . . ?
 N2 C18 H18C 109.5 . . ?
 H18A C18 H18B 109.5 . . ?
 H18A C18 H18C 109.5 . . ?
 H18B C18 H18C 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
 O1 C1 C7 N1 -123.58(16) . . . . ?
 O1 C1 C7 C3 -3.3(2) . . . . ?
 O1 C1 C7 C6 110.35(16) . . . . ?
 O2 C3 C4 O4 -170.54(13) . . . . ?
 O2 C3 C4 C5 74.63(15) . . . . ?
 O2 C3 C4 C12 -52.35(18) . . . . ?
 O2 C3 C7 N1 178.08(13) . . . . ?
 O2 C3 C7 C1 54.02(18) . . . . ?
 O2 C3 C7 C6 -66.20(16) . . . . ?
 O4 C4 C5 O5 80.8(2) . . . . ?
 O4 C4 C5 C6 -98.33(16) . . . . ?
 O4 C4 C12 O3 15.76(19) . . . . ?
 O5 C5 C6 C7 -172.36(18) . . . . ?
 C1 O1 C2 O2 49.6(2) . . . . ?
 C1 O1 C2 C9 -69.53(19) . . . . ?
 C1 O1 C2 C10 167.62(15) . . . . ?
 C2 O1 C1 C7 -51.07(19) . . . . ?
 C2 O1 C1 C8 -175.41(15) . . . . ?
 C2 O2 C3 C4 -168.50(14) . . . . ?
 C2 O2 C3 C7 -60.41(18) . . . . ?
 C2 O2 C3 C11 69.86(19) . . . . ?
 C3 O2 C2 O1 10.4(2) . . . . ?
 C3 O2 C2 C9 133.52(16) . . . . ?
 C3 O2 C2 C10 -105.80(17) . . . . ?
 C3 C4 C5 O5 -162.96(18) . . . . ?
 C3 C4 C5 C6 17.94(18) . . . . ?
 C3 C4 C12 O3 -105.61(17) . . . . ?
 C4 O4 C13 O3 -24.95(18) . . . . ?
 C4 O4 C13 C14 -139.97(16) . . . . ?
 C4 O4 C13 C15 95.71(17) . . . . ?
 C4 C3 C7 N1 -76.01(16) . . . . ?
 C4 C3 C7 C1 159.93(14) . . . . ?
 C4 C3 C7 C6 39.70(16) . . . . ?
 C4 C5 C6 C7 6.72(18) . . . . ?
 C5 C4 C12 O3 133.79(16) . . . . ?
 C5 C6 C7 N1 85.75(17) . . . . ?
 C5 C6 C7 C1 -146.09(15) . . . . ?
 C5 C6 C7 C3 -28.22(17) . . . . ?
 C7 N1 C16 O6 19.2(3) . . . . ?
 C7 N1 C16 N2 -162.45(15) . . . . ?
 C7 C3 C4 O4 79.59(16) . . . . ?
 C7 C3 C4 C5 -35.24(16) . . . . ?
 C7 C3 C4 C12 -162.22(14) . . . . ?
 C8 C1 C7 N1 -6.3(2) . . . . ?
 C8 C1 C7 C3 113.98(18) . . . . ?
 C8 C1 C7 C6 -132.37(17) . . . . ?
 C11 C3 C4 O4 -49.27(19) . . . . ?
 C11 C3 C4 C5 -164.10(14) . . . . ?
 C11 C3 C4 C12 68.9(2) . . . . ?
 C11 C3 C7 N1 50.4(2) . . . . ?
 C11 C3 C7 C1 -73.64(19) . . . . ?
 C11 C3 C7 C6 166.13(15) . . . . ?
 C12 O3 C13 O4 35.55(18) . . . . ?
 C12 O3 C13 C14 150.85(16) . . . . ?
 C12 O3 C13 C15 -82.72(19) . . . . ?
 C12 C4 C5 O5 -35.0(3) . . . . ?
 C12 C4 C5 C6 145.86(15) . . . . ?
 C13 O3 C12 C4 -31.95(19) . . . . ?
 C13 O4 C4 C3 131.11(15) . . . . ?
 C13 O4 C4 C5 -117.42(16) . . . . ?
 C13 O4 C4 C12 5.42(18) . . . . ?
 C16 N1 C7 C1 -75.1(2) . . . . ?
 C16 N1 C7 C3 163.38(15) . . . . ?
 C16 N1 C7 C6 52.6(2) . . . . ?
 C17 N2 C16 O6 6.3(3) . . . . ?
 C17 N2 C16 N1 -172.03(16) . . . . ?
 C18 N2 C16 O6 -172.46(17) . . . . ?
 C18 N2 C16 N1 9.2(3) . . . . ?