# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_zjq_150203_4
_database_code_depnum_ccdc_archive 'CCDC 1482374'
_audit_update_record             
;
2016-05-28 deposited with the CCDC.
2016-08-31 downloaded from the CCDC.
;
_audit_creation_date             2015-03-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_formula_moiety         'C17 H29 N2 O5 P'
_chemical_formula_sum            'C17 H29 N2 O5 P'
_chemical_formula_weight         372.40
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.01920 0.00962 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.03256 0.01839 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.05239 0.03377 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
P 0.30360 0.43703 6.43450 4.17910 1.78000 1.49080 1.90670 27.15700 0.52600
68.16450 1.11489999294
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z

_symmetry_Int_Tables_number      2
_cell_length_a                   9.7307(6)
_cell_length_b                   10.8147(5)
_cell_length_c                   11.1682(8)
_cell_angle_alpha                68.269(5)
_cell_angle_beta                 72.364(6)
_cell_angle_gamma                69.847(5)
_cell_volume                     1003.97(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4860
_cell_measurement_temperature    100
_cell_measurement_theta_max      70.9810
_cell_measurement_theta_min      4.3400
_exptl_absorpt_coefficient_mu    1.453
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.67089
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_F_000             401.8586
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_diffrn_reflns_av_R_equivalents  0.0223
_diffrn_reflns_av_unetI/netI     0.0262
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7674
_diffrn_reflns_theta_full        71.6031
_diffrn_reflns_theta_max         71.60
_diffrn_reflns_theta_min         4.35
_diffrn_ambient_temperature      100
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.2417
_diffrn_detector_type            Onyx
_diffrn_measured_fraction_theta_full 0.9643
_diffrn_measured_fraction_theta_max 0.9643
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -68.00   30.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -42.2034   57.0000  -60.0000 98

#__ type_ start__ end____ width___ exp.time_
  2 omega  -69.00  -34.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -95.0000   45.0000  -90.0000 35

#__ type_ start__ end____ width___ exp.time_
  3 omega  -72.00  -20.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -95.0000   77.0000   60.0000 52

#__ type_ start__ end____ width___ exp.time_
  4 omega  -68.00  -21.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -95.0000   30.0000  150.0000 47

#__ type_ start__ end____ width___ exp.time_
  5 omega -112.00  -18.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -42.2034  -57.0000  150.0000 94

#__ type_ start__ end____ width___ exp.time_
  6 omega -120.00  -94.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -95.0000   77.0000   60.0000 26

#__ type_ start__ end____ width___ exp.time_
  7 omega -122.00  -86.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -95.0000  125.0000   90.0000 36

#__ type_ start__ end____ width___ exp.time_
  8 omega -116.00  -82.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -42.2034  -99.0000 -120.0000 34

#__ type_ start__ end____ width___ exp.time_
  9 omega   31.00   97.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       42.2034 -125.0000 -180.0000 66

#__ type_ start__ end____ width___ exp.time_
 10 omega   44.00   99.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000  -94.0000 -150.0000 55

#__ type_ start__ end____ width___ exp.time_
 11 omega   46.00   71.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000  -45.0000  -60.0000 25

#__ type_ start__ end____ width___ exp.time_
 12 omega   41.00   67.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000  -77.0000    0.0000 26

#__ type_ start__ end____ width___ exp.time_
 13 omega   86.00  133.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000  -77.0000    0.0000 47

#__ type_ start__ end____ width___ exp.time_
 14 omega   53.00  178.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000   15.0000  -90.0000 125

#__ type_ start__ end____ width___ exp.time_
 15 omega  112.00  152.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000   45.0000  -30.0000 40

#__ type_ start__ end____ width___ exp.time_
 16 omega   33.00   73.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000  -45.0000 -150.0000 40

#__ type_ start__ end____ width___ exp.time_
 17 omega   29.00  109.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000  -94.0000  -60.0000 80

#__ type_ start__ end____ width___ exp.time_
 18 omega   25.00   62.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000  -30.0000  -30.0000 37

#__ type_ start__ end____ width___ exp.time_
 19 omega   30.00   55.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000  -30.0000    0.0000 25

#__ type_ start__ end____ width___ exp.time_
 20 omega   23.00   65.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000  -30.0000  -90.0000 42

#__ type_ start__ end____ width___ exp.time_
 21 omega   23.00   64.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000  -30.0000  120.0000 41

#__ type_ start__ end____ width___ exp.time_
 22 omega   15.00   83.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000  -94.0000  150.0000 68
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Onyx, Nova'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0466043000
_diffrn_orient_matrix_UB_12      0.0221192000
_diffrn_orient_matrix_UB_13      0.1368055000
_diffrn_orient_matrix_UB_21      0.1653530000
_diffrn_orient_matrix_UB_22      -0.0266353000
_diffrn_orient_matrix_UB_23      0.0023673000
_diffrn_orient_matrix_UB_31      -0.0112572000
_diffrn_orient_matrix_UB_32      0.1551033000
_diffrn_orient_matrix_UB_33      -0.0652611000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'Nova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              11
_reflns_limit_h_min              -11
_reflns_limit_k_max              13
_reflns_limit_k_min              -11
_reflns_limit_l_max              13
_reflns_limit_l_min              0
_reflns_number_gt                3417
_reflns_number_total             3778
_reflns_odcompleteness_completeness 99.69
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.3947
_refine_diff_density_min         -0.4067
_refine_diff_density_rms         0.0472
_refine_ls_d_res_high            0.8124
_refine_ls_d_res_low             10.1625
_refine_ls_goodness_of_fit_ref   1.0520
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    44
_refine_ls_number_parameters     232
_refine_ls_number_reflns         3778
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_gt           0.0326
_refine_ls_restrained_S_all      1.0520
_refine_ls_shift/su_max          0.0001
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0429P)²+0.3188P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0819
_refine_ls_wR_factor_ref         0.0854
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1), C5(H5)
2.b Aromatic/amide H refined with riding coordinates:
 N7(H7), C14(H14), C15(H15), C16(H16), C17(H17), C13(H13)
2.c Idealised Me refined as rotating group:
 C4(H4a,H4b,H4c), C11(H11a,H11b,H11c), C9(H9a,H9b,H9c), C6(H6a,H6b,H6c),
 C3(H3a,H3b,H3c), C10(H10a,H10b,H10c), C2(H2a,H2b,H2c)
;
_atom_sites_solution_primary     iterative
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_refinement_flags_posn
P1 P 0.08390(3) 0.50000(3) 0.28948(3) 0.01624(10) Uani 1.000000 .
O1 O 0.00302(10) 0.40363(9) 0.39230(9) 0.0201(2) Uani 1.000000 .
O5 O 0.18293(11) 0.85853(9) 0.31182(9) 0.0214(2) Uani 1.000000 .
O4 O 0.31595(11) 0.74442(10) 0.15895(10) 0.0250(2) Uani 1.000000 .
O2 O 0.15339(10) 0.45015(9) 0.16443(9) 0.0191(2) Uani 1.000000 .
O3 O -0.01021(10) 0.65264(9) 0.24341(9) 0.0201(2) Uani 1.000000 .
N7 N 0.20533(12) 0.63619(11) 0.36553(11) 0.0188(2) Uani 1.000000 .
H7 H 0.17059(12) 0.63899(11) 0.44531(11) 0.0226(3) Uiso 1.000000 R
N1 N 0.22698(12) 0.51738(11) 0.33218(11) 0.0178(2) Uani 1.000000 .
C1 C 0.24785(16) 0.52080(15) 0.04558(13) 0.0244(3) Uani 1.000000 .
H1 H 0.29228(16) 0.57555(15) 0.06862(13) 0.0292(4) Uiso 1.000000 R
C14 C 0.60812(16) 0.33254(15) 0.39950(14) 0.0248(3) Uani 1.000000 .
H14 H 0.68694(16) 0.35110(15) 0.41445(14) 0.0298(4) Uiso 1.000000 R
C7 C 0.24151(14) 0.74811(13) 0.26632(13) 0.0187(3) Uani 1.000000 .
C15 C 0.62106(16) 0.20045(15) 0.40031(14) 0.0255(3) Uani 1.000000 .
H15 H 0.70790(16) 0.13059(15) 0.41526(14) 0.0306(4) Uiso 1.000000 R
C5 C -0.15625(14) 0.70557(13) 0.32265(13) 0.0201(3) Uani 1.000000 .
H5 H -0.15742(14) 0.65500(13) 0.41597(13) 0.0241(3) Uiso 1.000000 R
C16 C 0.50212(17) 0.17441(14) 0.37842(15) 0.0256(3) Uani 1.000000 .
H16 H 0.51006(17) 0.08642(14) 0.37790(15) 0.0307(4) Uiso 1.000000 R
C17 C 0.37177(16) 0.27744(14) 0.35734(14) 0.0218(3) Uani 1.000000 .
H17 H 0.29245(16) 0.25790(14) 0.34429(14) 0.0261(3) Uiso 1.000000 R
C4 C -0.17177(17) 0.85563(15) 0.30062(17) 0.0298(3) Uani 1.000000 .
H4a H -0.0928(8) 0.86348(17) 0.3298(11) 0.0447(5) Uiso 1.000000 GR
H4b H -0.1659(14) 0.9044(3) 0.2086(2) 0.0447(5) Uiso 1.000000 GR
H4c H -0.2665(6) 0.8945(4) 0.3494(10) 0.0447(5) Uiso 1.000000 GR
C11 C 0.1588(2) 1.03903(16) 0.09865(17) 0.0346(4) Uani 1.000000 .
H11a H 0.2204(9) 0.9781(8) 0.0473(6) 0.0520(5) Uiso 1.000000 GR
H11b H 0.0568(5) 1.0363(13) 0.11692(17) 0.0520(5) Uiso 1.000000 GR
H11c H 0.1663(14) 1.1314(5) 0.0505(6) 0.0520(5) Uiso 1.000000 GR
C13 C 0.47923(15) 0.43725(14) 0.37668(13) 0.0206(3) Uani 1.000000 .
H13 H 0.47266(15) 0.52557(14) 0.37539(13) 0.0247(3) Uiso 1.000000 R
C9 C 0.11591(19) 1.08795(15) 0.31039(18) 0.0341(4) Uani 1.000000 .
H9a H 0.0132(3) 1.0874(10) 0.3278(11) 0.0512(5) Uiso 1.000000 GR
H9b H 0.1488(9) 1.0562(8) 0.3920(6) 0.0512(5) Uiso 1.000000 GR
H9c H 0.1254(11) 1.1801(3) 0.2641(6) 0.0512(5) Uiso 1.000000 GR
C12 C 0.35928(14) 0.41065(13) 0.35565(12) 0.0174(3) Uani 1.000000 .
C6 C -0.27673(17) 0.68333(16) 0.28047(16) 0.0294(3) Uani 1.000000 .
H6a H -0.2797(9) 0.7373(10) 0.1906(4) 0.0440(5) Uiso 1.000000 GR
H6b H -0.2557(7) 0.5875(3) 0.2884(11) 0.0440(5) Uiso 1.000000 GR
H6c H -0.3716(3) 0.7111(12) 0.3355(8) 0.0440(5) Uiso 1.000000 GR
C8 C 0.21088(16) 0.99358(13) 0.22724(15) 0.0253(3) Uani 1.000000 .
C3 C 0.36913(18) 0.40903(17) -0.00306(16) 0.0322(3) Uani 1.000000 .
H3a H 0.4281(9) 0.3534(8) 0.0628(5) 0.0483(5) Uiso 1.000000 GR
H3b H 0.32491(18) 0.3523(8) -0.0206(12) 0.0483(5) Uiso 1.000000 GR
H3c H 0.4318(8) 0.45004(17) -0.0824(7) 0.0483(5) Uiso 1.000000 GR
C10 C 0.37594(18) 0.98313(16) 0.20561(18) 0.0339(4) Uani 1.000000 .
H10a H 0.4060(4) 0.9464(12) 0.28901(19) 0.0508(5) Uiso 1.000000 GR
H10b H 0.4334(2) 0.9232(10) 0.1522(10) 0.0508(5) Uiso 1.000000 GR
H10c H 0.3927(3) 1.0731(2) 0.1619(11) 0.0508(5) Uiso 1.000000 GR
C2 C 0.1509(2) 0.6140(2) -0.05281(18) 0.0552(6) Uani 1.000000 .
H2a H 0.1086(15) 0.5599(3) -0.0759(13) 0.0828(9) Uiso 1.000000 GR
H2b H 0.0721(11) 0.6797(11) -0.0150(6) 0.0828(9) Uiso 1.000000 GR
H2c H 0.2102(5) 0.6620(13) -0.1302(7) 0.0828(9) Uiso 1.000000 GR


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 O1 1.4682(10) . ?
P1 O2 1.5596(9) . ?
P1 O3 1.5630(9) . ?
P1 N1 1.6882(11) . ?
O5 C7 1.3469(16) . ?
O5 C8 1.4818(16) . ?
O4 C7 1.2056(17) . ?
O2 C1 1.4779(16) . ?
O3 C5 1.4774(15) . ?
N7 H7 0.8600 . ?
N7 N1 1.3979(14) . ?
N7 C7 1.3714(17) . ?
N1 C12 1.4194(16) . ?
C1 H1 0.9800 . ?
C1 C3 1.505(2) . ?
C1 C2 1.505(2) . ?
C14 H14 0.9300 . ?
C14 C15 1.387(2) . ?
C14 C13 1.386(2) . ?
C15 H15 0.9300 . ?
C15 C16 1.388(2) . ?
C5 H5 0.9800 . ?
C5 C4 1.5083(19) . ?
C5 C6 1.5057(19) . ?
C16 H16 0.9300 . ?
C16 C17 1.3852(19) . ?
C17 H17 0.9300 . ?
C17 C12 1.3969(18) . ?
C4 H4a 0.9600 . ?
C4 H4b 0.9600 . ?
C4 H4c 0.9600 . ?
C11 H11a 0.9600 . ?
C11 H11b 0.9600 . ?
C11 H11c 0.9600 . ?
C11 C8 1.519(2) . ?
C13 H13 0.9300 . ?
C13 C12 1.3956(19) . ?
C9 H9a 0.9600 . ?
C9 H9b 0.9600 . ?
C9 H9c 0.9600 . ?
C9 C8 1.513(2) . ?
C6 H6a 0.9600 . ?
C6 H6b 0.9600 . ?
C6 H6c 0.9600 . ?
C8 C10 1.520(2) . ?
C3 H3a 0.9600 . ?
C3 H3b 0.9600 . ?
C3 H3c 0.9600 . ?
C10 H10a 0.9600 . ?
C10 H10b 0.9600 . ?
C10 H10c 0.9600 . ?
C2 H2a 0.9600 . ?
C2 H2b 0.9600 . ?
C2 H2c 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
O2 P1 O1 110.25(5) . . ?
O3 P1 O1 115.97(5) . . ?
O3 P1 O2 106.80(5) . . ?
N1 P1 O1 114.51(6) . . ?
N1 P1 O2 105.97(5) . . ?
N1 P1 O3 102.50(5) . . ?
C8 O5 C7 119.94(11) . . ?
C1 O2 P1 123.72(8) . . ?
C5 O3 P1 121.60(8) . . ?
N1 N7 H7 121.23(7) . . ?
C7 N7 H7 121.23(7) . . ?
C7 N7 N1 117.55(11) . . ?
N7 N1 P1 117.99(8) . . ?
C12 N1 P1 124.04(9) . . ?
C12 N1 N7 117.26(10) . . ?
H1 C1 O2 109.73(7) . . ?
C3 C1 O2 106.31(11) . . ?
C3 C1 H1 109.73(9) . . ?
C2 C1 O2 108.33(13) . . ?
C2 C1 H1 109.73(12) . . ?
C2 C1 C3 112.90(13) . . ?
C15 C14 H14 119.57(8) . . ?
C13 C14 H14 119.57(8) . . ?
C13 C14 C15 120.86(13) . . ?
O4 C7 O5 127.26(12) . . ?
N7 C7 O5 108.05(11) . . ?
N7 C7 O4 124.67(12) . . ?
H15 C15 C14 120.59(8) . . ?
C16 C15 C14 118.81(13) . . ?
C16 C15 H15 120.59(8) . . ?
H5 C5 O3 109.40(6) . . ?
C4 C5 O3 106.87(11) . . ?
C4 C5 H5 109.40(8) . . ?
C6 C5 O3 108.55(11) . . ?
C6 C5 H5 109.40(8) . . ?
C6 C5 C4 113.14(12) . . ?
H16 C16 C15 119.48(8) . . ?
C17 C16 C15 121.03(13) . . ?
C17 C16 H16 119.48(8) . . ?
H17 C17 C16 119.96(8) . . ?
C12 C17 C16 120.09(13) . . ?
C12 C17 H17 119.96(8) . . ?
H4a C4 C5 109.5 . . ?
H4b C4 C5 109.5 . . ?
H4b C4 H4a 109.5 . . ?
H4c C4 C5 109.5 . . ?
H4c C4 H4a 109.5 . . ?
H4c C4 H4b 109.5 . . ?
H11b C11 H11a 109.5 . . ?
H11c C11 H11a 109.5 . . ?
H11c C11 H11b 109.5 . . ?
C8 C11 H11a 109.5 . . ?
C8 C11 H11b 109.5 . . ?
C8 C11 H11c 109.5 . . ?
H13 C13 C14 119.87(8) . . ?
C12 C13 C14 120.26(12) . . ?
C12 C13 H13 119.87(8) . . ?
H9b C9 H9a 109.5 . . ?
H9c C9 H9a 109.5 . . ?
H9c C9 H9b 109.5 . . ?
C8 C9 H9a 109.5 . . ?
C8 C9 H9b 109.5 . . ?
C8 C9 H9c 109.5 . . ?
C17 C12 N1 120.49(12) . . ?
C13 C12 N1 120.57(11) . . ?
C13 C12 C17 118.94(12) . . ?
H6a C6 C5 109.5 . . ?
H6b C6 C5 109.5 . . ?
H6b C6 H6a 109.5 . . ?
H6c C6 C5 109.5 . . ?
H6c C6 H6a 109.5 . . ?
H6c C6 H6b 109.5 . . ?
C11 C8 O5 110.99(11) . . ?
C9 C8 O5 102.33(12) . . ?
C9 C8 C11 110.70(13) . . ?
C10 C8 O5 108.83(11) . . ?
C10 C8 C11 112.30(14) . . ?
C10 C8 C9 111.25(13) . . ?
H3a C3 C1 109.5 . . ?
H3b C3 C1 109.5 . . ?
H3b C3 H3a 109.5 . . ?
H3c C3 C1 109.5 . . ?
H3c C3 H3a 109.5 . . ?
H3c C3 H3b 109.5 . . ?
H10a C10 C8 109.5 . . ?
H10b C10 C8 109.5 . . ?
H10b C10 H10a 109.5 . . ?
H10c C10 C8 109.5 . . ?
H10c C10 H10a 109.5 . . ?
H10c C10 H10b 109.5 . . ?
H2a C2 C1 109.5 . . ?
H2b C2 C1 109.5 . . ?
H2b C2 H2a 109.5 . . ?
H2c C2 C1 109.5 . . ?
H2c C2 H2a 109.5 . . ?
H2c C2 H2b 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
