# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry
# This journal is © The Royal Society of Chemistry 2013


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#                 Cambridge Crystallographic Data Centre
#                                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 
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data_shelx
_database_code_depnum_ccdc_archive 'CCDC 908739'
#TrackingRef 'web_deposit_cif_file_0_weidongfan_1351744179.shelx.cif'
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C15 H23 N2 O7 P'
_chemical_formula_weight         374.32
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'
P P 0.1023 0.0942 '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                   9.992(2)
_cell_length_b                   10.278(2)
_cell_length_c                   17.851(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     1833.4(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    6592
_cell_measurement_theta_min      2.0
_cell_measurement_theta_max      27.9
_exptl_crystal_description       Prism
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             792
_exptl_absorpt_coefficient_mu    0.188
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.9633
_exptl_absorpt_correction_T_max  0.9777
_exptl_absorpt_process_details   CrystalClear
_exptl_special_details           
;
?
;
_diffrn_ambient_temperature      113(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  multilayer
_diffrn_measurement_device_type  'Rigaku Saturn724 CCD'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_detector_area_resol_mean 14.22
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            18945
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_sigmaI/netI    0.0379
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.28
_diffrn_reflns_theta_max         27.88
_reflns_number_total             4376
_reflns_number_gt                3689
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       CrystalClear
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'CrystalStructure 3.8'
_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^)+(0.0373P)^2^+0.0000P] 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   0.08(6)
_refine_ls_number_reflns         4376
_refine_ls_number_parameters     234
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0341
_refine_ls_R_factor_gt           0.0285
_refine_ls_wR_factor_ref         0.0668
_refine_ls_wR_factor_gt          0.0650
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.016
_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
P1 P 0.77874(3) 0.68615(3) 0.99435(2) 0.01626(8) Uani 1 1 d . . .
O1 O 0.65317(11) 1.07563(12) 0.84082(6) 0.0339(3) Uani 1 1 d . . .
O2 O 0.79834(13) 1.07120(15) 0.75185(7) 0.0541(4) Uani 1 1 d . . .
O3 O 0.93948(11) 0.76269(11) 0.79602(6) 0.0334(3) Uani 1 1 d . . .
O4 O 0.71743(11) 0.78778(10) 0.81292(6) 0.0268(2) Uani 1 1 d . . .
O5 O 0.63448(9) 0.71117(9) 0.99524(6) 0.0245(2) Uani 1 1 d . . .
O6 O 0.81135(9) 0.56841(9) 0.94120(5) 0.0197(2) Uani 1 1 d . . .
O7 O 0.84213(10) 0.63687(9) 1.06980(5) 0.0223(2) Uani 1 1 d . . .
N1 N 0.86269(11) 0.81516(11) 0.97000(6) 0.0157(2) Uani 1 1 d D . .
N2 N 0.76143(13) 1.04311(12) 0.81487(7) 0.0260(3) Uani 1 1 d . . .
C1 C 0.94819(14) 1.05713(15) 1.03671(8) 0.0231(3) Uani 1 1 d . . .
H1A H 1.0094 0.9864 1.0364 0.028 Uiso 1 1 calc R . .
C2 C 0.97436(15) 1.16549(15) 1.08061(8) 0.0264(3) Uani 1 1 d . . .
H2 H 1.0535 1.1682 1.1101 0.032 Uiso 1 1 calc R . .
C3 C 0.88687(16) 1.26952(15) 1.08205(8) 0.0271(3) Uani 1 1 d . . .
H3 H 0.9067 1.3445 1.1111 0.033 Uiso 1 1 calc R . .
C4 C 0.76994(16) 1.26313(14) 1.04068(8) 0.0277(3) Uani 1 1 d . . .
H4 H 0.7081 1.3333 1.0422 0.033 Uiso 1 1 calc R . .
C5 C 0.74256(14) 1.15448(13) 0.99684(8) 0.0220(3) Uani 1 1 d . . .
H5 H 0.6614 1.1507 0.9692 0.026 Uiso 1 1 calc R . .
C6 C 0.83250(13) 1.05112(12) 0.99283(8) 0.0163(3) Uani 1 1 d . . .
C7 C 0.80340(13) 0.93489(13) 0.94193(7) 0.0161(3) Uani 1 1 d . . .
H7 H 0.7042 0.9226 0.9398 0.019 Uiso 1 1 calc R . .
C8 C 0.85532(14) 0.95432(13) 0.85990(8) 0.0188(3) Uani 1 1 d . . .
C9 C 0.99573(15) 1.00946(16) 0.85444(8) 0.0273(4) Uani 1 1 d . . .
H9A H 1.0570 0.9558 0.8841 0.041 Uiso 1 1 calc R . .
H9B H 0.9963 1.0988 0.8737 0.041 Uiso 1 1 calc R . .
H9C H 1.0246 1.0094 0.8020 0.041 Uiso 1 1 calc R . .
C10 C 0.84574(15) 0.82309(15) 0.81873(8) 0.0220(3) Uani 1 1 d . . .
C11 C 0.69327(18) 0.66419(16) 0.77611(9) 0.0370(4) Uani 1 1 d . . .
H11A H 0.7464 0.6595 0.7300 0.056 Uiso 1 1 calc R . .
H11B H 0.5980 0.6566 0.7638 0.056 Uiso 1 1 calc R . .
H11C H 0.7191 0.5930 0.8097 0.056 Uiso 1 1 calc R . .
C12 C 0.94874(15) 0.52383(15) 0.93080(9) 0.0269(3) Uani 1 1 d . . .
H12A H 0.9864 0.4946 0.9792 0.032 Uiso 1 1 calc R . .
H12B H 1.0048 0.5959 0.9116 0.032 Uiso 1 1 calc R . .
C13 C 0.94815(18) 0.41298(17) 0.87576(9) 0.0360(4) Uani 1 1 d . . .
H13A H 0.8969 0.3401 0.8966 0.054 Uiso 1 1 calc R . .
H13B H 1.0403 0.3850 0.8661 0.054 Uiso 1 1 calc R . .
H13C H 0.9068 0.4416 0.8288 0.054 Uiso 1 1 calc R . .
C14 C 0.8468(2) 0.72518(16) 1.13381(9) 0.0361(4) Uani 1 1 d . . .
H14A H 0.7624 0.7754 1.1372 0.043 Uiso 1 1 calc R . .
H14B H 0.9219 0.7872 1.1281 0.043 Uiso 1 1 calc R . .
C15 C 0.86549(18) 0.64509(16) 1.20281(8) 0.0303(4) Uani 1 1 d . . .
H15A H 0.7882 0.5875 1.2094 0.045 Uiso 1 1 calc R . .
H15B H 0.8736 0.7025 1.2464 0.045 Uiso 1 1 calc R . .
H15C H 0.9469 0.5927 1.1979 0.045 Uiso 1 1 calc R . .
H1 H 0.9449(10) 0.8171(17) 0.9827(8) 0.031(5) Uiso 1 1 d 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
P1 0.01593(16) 0.01236(14) 0.02048(17) 0.00038(13) 0.00172(15) -0.00095(13)
O1 0.0322(6) 0.0378(7) 0.0317(6) 0.0041(5) -0.0025(5) 0.0156(6)
O2 0.0598(9) 0.0675(9) 0.0349(7) 0.0311(7) 0.0100(6) 0.0222(8)
O3 0.0378(6) 0.0299(6) 0.0324(6) -0.0044(5) 0.0078(5) 0.0110(5)
O4 0.0316(6) 0.0213(5) 0.0275(5) -0.0073(4) -0.0076(5) 0.0025(5)
O5 0.0160(5) 0.0197(5) 0.0376(6) -0.0002(5) 0.0046(5) -0.0038(4)
O6 0.0202(5) 0.0158(5) 0.0232(5) -0.0025(4) -0.0005(4) 0.0013(4)
O7 0.0338(6) 0.0158(5) 0.0174(5) 0.0000(4) 0.0008(4) 0.0001(4)
N1 0.0111(6) 0.0129(5) 0.0232(6) 0.0026(5) -0.0010(4) 0.0001(5)
N2 0.0331(7) 0.0204(6) 0.0244(7) 0.0041(5) -0.0022(6) 0.0043(6)
C1 0.0241(8) 0.0190(7) 0.0263(8) 0.0008(6) -0.0022(6) -0.0007(6)
C2 0.0294(8) 0.0253(8) 0.0245(8) -0.0017(6) -0.0038(6) -0.0074(7)
C3 0.0340(9) 0.0225(7) 0.0249(8) -0.0071(6) 0.0081(7) -0.0080(7)
C4 0.0294(8) 0.0176(7) 0.0360(8) -0.0045(6) 0.0112(7) 0.0018(7)
C5 0.0212(7) 0.0184(6) 0.0263(7) -0.0004(6) 0.0019(6) -0.0009(5)
C6 0.0179(6) 0.0146(6) 0.0164(7) 0.0012(5) 0.0046(5) -0.0027(5)
C7 0.0147(7) 0.0138(6) 0.0197(7) 0.0018(5) 0.0002(5) 0.0011(5)
C8 0.0203(7) 0.0169(7) 0.0193(7) 0.0029(5) -0.0004(6) 0.0041(6)
C9 0.0248(8) 0.0302(9) 0.0268(8) 0.0036(7) 0.0057(6) -0.0031(7)
C10 0.0289(8) 0.0218(7) 0.0154(7) 0.0015(6) 0.0001(6) 0.0039(7)
C11 0.0537(11) 0.0253(8) 0.0322(9) -0.0124(7) -0.0153(8) 0.0016(8)
C12 0.0246(8) 0.0216(8) 0.0344(9) -0.0033(7) 0.0001(7) 0.0064(6)
C13 0.0455(11) 0.0316(9) 0.0310(9) -0.0074(7) 0.0055(8) 0.0092(8)
C14 0.0675(12) 0.0206(7) 0.0204(8) -0.0027(6) -0.0045(8) 0.0007(8)
C15 0.0426(10) 0.0273(8) 0.0210(8) 0.0029(6) -0.0006(7) 0.0014(7)
_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
P1 O5 1.4644(10) . ?
P1 O6 1.5720(10) . ?
P1 O7 1.5722(11) . ?
P1 N1 1.6281(12) . ?
O1 N2 1.2233(15) . ?
O2 N2 1.2187(17) . ?
O3 C10 1.1946(17) . ?
O4 C10 1.3365(18) . ?
O4 C11 1.4504(18) . ?
O6 C12 1.4591(17) . ?
O7 C14 1.4600(17) . ?
N1 C7 1.4548(17) . ?
N1 H1 0.852(9) . ?
N2 C8 1.5360(18) . ?
C1 C2 1.387(2) . ?
C1 C6 1.3977(19) . ?
C1 H1A 0.9500 . ?
C2 C3 1.381(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.384(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.391(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.3933(18) . ?
C5 H5 0.9500 . ?
C6 C7 1.5289(18) . ?
C7 C8 1.5662(19) . ?
C7 H7 1.0000 . ?
C8 C9 1.516(2) . ?
C8 C10 1.539(2) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.505(2) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.493(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 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
O5 P1 O6 110.23(6) . . ?
O5 P1 O7 116.35(6) . . ?
O6 P1 O7 100.69(5) . . ?
O5 P1 N1 111.53(6) . . ?
O6 P1 N1 111.04(6) . . ?
O7 P1 N1 106.47(6) . . ?
C10 O4 C11 115.63(12) . . ?
C12 O6 P1 120.90(9) . . ?
C14 O7 P1 118.87(9) . . ?
C7 N1 P1 124.82(9) . . ?
C7 N1 H1 117.7(12) . . ?
P1 N1 H1 116.4(12) . . ?
O2 N2 O1 123.53(13) . . ?
O2 N2 C8 116.04(12) . . ?
O1 N2 C8 120.29(12) . . ?
C2 C1 C6 120.54(14) . . ?
C2 C1 H1A 119.7 . . ?
C6 C1 H1A 119.7 . . ?
C3 C2 C1 120.86(14) . . ?
C3 C2 H2 119.6 . . ?
C1 C2 H2 119.6 . . ?
C2 C3 C4 119.18(14) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 H3 120.4 . . ?
C3 C4 C5 120.30(14) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C4 C5 C6 120.94(13) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C1 118.10(12) . . ?
C5 C6 C7 120.24(12) . . ?
C1 C6 C7 121.66(12) . . ?
N1 C7 C6 112.26(11) . . ?
N1 C7 C8 107.16(10) . . ?
C6 C7 C8 113.14(11) . . ?
N1 C7 H7 108.0 . . ?
C6 C7 H7 108.0 . . ?
C8 C7 H7 108.0 . . ?
C9 C8 N2 108.02(12) . . ?
C9 C8 C10 110.76(12) . . ?
N2 C8 C10 103.46(10) . . ?
C9 C8 C7 114.48(12) . . ?
N2 C8 C7 111.26(11) . . ?
C10 C8 C7 108.31(11) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O3 C10 O4 125.79(15) . . ?
O3 C10 C8 124.66(14) . . ?
O4 C10 C8 109.55(12) . . ?
O4 C11 H11A 109.5 . . ?
O4 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
O4 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O6 C12 C13 108.50(12) . . ?
O6 C12 H12A 110.0 . . ?
C13 C12 H12A 110.0 . . ?
O6 C12 H12B 110.0 . . ?
C13 C12 H12B 110.0 . . ?
H12A C12 H12B 108.4 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O7 C14 C15 107.86(13) . . ?
O7 C14 H14A 110.1 . . ?
C15 C14 H14A 110.1 . . ?
O7 C14 H14B 110.1 . . ?
C15 C14 H14B 110.1 . . ?
H14A C14 H14B 108.4 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 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
O5 P1 O6 C12 -179.84(10) . . . . ?
O7 P1 O6 C12 -56.41(11) . . . . ?
N1 P1 O6 C12 56.04(12) . . . . ?
O5 P1 O7 C14 -67.46(13) . . . . ?
O6 P1 O7 C14 173.45(11) . . . . ?
N1 P1 O7 C14 57.55(13) . . . . ?
O5 P1 N1 C7 -8.46(13) . . . . ?
O6 P1 N1 C7 114.91(10) . . . . ?
O7 P1 N1 C7 -136.36(10) . . . . ?
C6 C1 C2 C3 0.1(2) . . . . ?
C1 C2 C3 C4 1.9(2) . . . . ?
C2 C3 C4 C5 -1.5(2) . . . . ?
C3 C4 C5 C6 -0.9(2) . . . . ?
C4 C5 C6 C1 2.8(2) . . . . ?
C4 C5 C6 C7 -177.55(13) . . . . ?
C2 C1 C6 C5 -2.4(2) . . . . ?
C2 C1 C6 C7 177.94(13) . . . . ?
P1 N1 C7 C6 118.23(11) . . . . ?
P1 N1 C7 C8 -116.96(11) . . . . ?
C5 C6 C7 N1 -150.98(12) . . . . ?
C1 C6 C7 N1 28.66(17) . . . . ?
C5 C6 C7 C8 87.58(15) . . . . ?
C1 C6 C7 C8 -92.78(15) . . . . ?
O2 N2 C8 C9 48.71(17) . . . . ?
O1 N2 C8 C9 -135.38(14) . . . . ?
O2 N2 C8 C10 -68.75(17) . . . . ?
O1 N2 C8 C10 107.16(14) . . . . ?
O2 N2 C8 C7 175.16(14) . . . . ?
O1 N2 C8 C7 -8.93(18) . . . . ?
N1 C7 C8 C9 -79.36(14) . . . . ?
C6 C7 C8 C9 44.91(16) . . . . ?
N1 C7 C8 N2 157.83(11) . . . . ?
C6 C7 C8 N2 -77.90(13) . . . . ?
N1 C7 C8 C10 44.76(14) . . . . ?
C6 C7 C8 C10 169.03(11) . . . . ?
C11 O4 C10 O3 0.6(2) . . . . ?
C11 O4 C10 C8 -179.09(11) . . . . ?
C9 C8 C10 O3 11.14(19) . . . . ?
N2 C8 C10 O3 126.67(15) . . . . ?
C7 C8 C10 O3 -115.17(16) . . . . ?
C9 C8 C10 O4 -169.18(12) . . . . ?
N2 C8 C10 O4 -53.66(14) . . . . ?
C7 C8 C10 O4 64.51(13) . . . . ?
P1 O6 C12 C13 -178.59(10) . . . . ?
P1 O7 C14 C15 160.70(11) . . . . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1 O5 0.852(9) 1.957(10) 2.7988(16) 169.4(17) 4_567
_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.88
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.260
_refine_diff_density_min         -0.327
_refine_diff_density_rms         0.049