# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2012


data_global
_journal_name_full               Chem.Commun.
_journal_coden_cambridge         0182
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_name        'Fu Bin'
_publ_contact_author_email       fubinchem@cau.edu.cn
_publ_author_name                'Fu Bin'

data_exp_602
_database_code_depnum_ccdc_archive 'CCDC 884030'
#TrackingRef '- exp_602.cif'

_audit_creation_date             2012-05-23
_audit_creation_method           
;
Olex2 1.1
(compiled 2011.02.15 svn.r1672, GUI svn.r3494)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
?
;
_chemical_formula_moiety         'C16 H14 N2 O3'
_chemical_formula_sum            'C16 H14 N2 O3'
_chemical_formula_weight         282.29
_chemical_absolute_configuration ad
_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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, -y, z+1/2'
3 'x+1/2, -y+1/2, -z'
4 '-x, y+1/2, -z+1/2'

_cell_length_a                   9.8802(12)
_cell_length_b                   10.1254(15)
_cell_length_c                   14.573(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     1457.9(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3124
_cell_measurement_temperature    100.2
_cell_measurement_theta_max      69.6247
_cell_measurement_theta_min      4.3597
_exptl_absorpt_coefficient_mu    0.742
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96598
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.286
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ?
_exptl_crystal_F_000             592
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_special_details           
;
?
;
_diffrn_reflns_av_R_equivalents  0.0204
_diffrn_reflns_av_unetI/netI     0.0280
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5232
_diffrn_reflns_theta_full        69.79
_diffrn_reflns_theta_max         69.79
_diffrn_reflns_theta_min         5.32
_diffrn_ambient_temperature      100.2
_diffrn_detector_area_resol_mean 16.0971
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
1 omega -45.00 -19.00 1.0000 2.0000
omega____ theta____ kappa____ phi______ frames
- -33.5000 37.0000 60.0000 26

#__ type_ start__ end____ width___ exp.time_
2 omega -43.00 -18.00 1.0000 2.0000
omega____ theta____ kappa____ phi______ frames
- -33.5000 157.0000 78.0000 25

#__ type_ start__ end____ width___ exp.time_
3 omega -105.00 -18.00 1.0000 2.0000
omega____ theta____ kappa____ phi______ frames
- -33.5000 -37.0000 -90.0000 87

#__ type_ start__ end____ width___ exp.time_
4 omega -18.00 73.00 1.0000 2.0000
omega____ theta____ kappa____ phi______ frames
- 54.0000 -37.0000 -150.0000 91

#__ type_ start__ end____ width___ exp.time_
5 omega -8.00 54.00 1.0000 2.0000
omega____ theta____ kappa____ phi______ frames
- 54.0000 -77.0000 -180.0000 62

#__ type_ start__ end____ width___ exp.time_
6 omega 128.00 170.00 1.0000 4.0000
omega____ theta____ kappa____ phi______ frames
- 108.0000 111.0000 120.0000 42

#__ type_ start__ end____ width___ exp.time_
7 omega 119.00 177.00 1.0000 4.0000
omega____ theta____ kappa____ phi______ frames
- 108.0000 45.0000 0.0000 58

#__ type_ start__ end____ width___ exp.time_
8 omega 53.00 96.00 1.0000 4.0000
omega____ theta____ kappa____ phi______ frames
- 108.0000 -45.0000 -150.0000 43

#__ type_ start__ end____ width___ exp.time_
9 omega 110.00 167.00 1.0000 4.0000
omega____ theta____ kappa____ phi______ frames
- 108.0000 111.0000 30.0000 57

#__ type_ start__ end____ width___ exp.time_
10 omega 53.00 80.00 1.0000 4.0000
omega____ theta____ kappa____ phi______ frames
- 108.0000 -45.0000 30.0000 27

#__ type_ start__ end____ width___ exp.time_
11 omega 87.00 120.00 1.0000 4.0000
omega____ theta____ kappa____ phi______ frames
- 108.0000 45.0000 -30.0000 33

#__ type_ start__ end____ width___ exp.time_
12 omega 148.00 178.00 1.0000 4.0000
omega____ theta____ kappa____ phi______ frames
- 108.0000 45.0000 -30.0000 30

#__ type_ start__ end____ width___ exp.time_
13 omega 134.00 178.00 1.0000 4.0000
omega____ theta____ kappa____ phi______ frames
- 108.0000 111.0000 -120.0000 44

#__ type_ start__ end____ width___ exp.time_
14 omega 44.00 89.00 1.0000 4.0000
omega____ theta____ kappa____ phi______ frames
- 108.0000 -45.0000 90.0000 45

#__ type_ start__ end____ width___ exp.time_
15 omega 46.00 161.00 1.0000 4.0000
omega____ theta____ kappa____ phi______ frames
- 108.0000 -15.0000 0.0000 115
;
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.1139734000
_diffrn_orient_matrix_UB_12      -0.0750500000
_diffrn_orient_matrix_UB_13      -0.0498311000
_diffrn_orient_matrix_UB_21      -0.0473828000
_diffrn_orient_matrix_UB_22      0.0581636000
_diffrn_orient_matrix_UB_23      -0.0919963000
_diffrn_orient_matrix_UB_31      0.0956280000
_diffrn_orient_matrix_UB_32      0.1186840000
_diffrn_orient_matrix_UB_33      0.0137817000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_source                   'Enhance (Cu) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                2649
_reflns_number_total             2714
_reflns_odcompleteness_completeness 99.87
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_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  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'A short history of SHELX (Sheldrick, 2007)'
_refine_diff_density_max         0.178
_refine_diff_density_min         -0.185
_refine_diff_density_rms         0.037
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.04(19)
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     191
_refine_ls_number_reflns         2714
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0330
_refine_ls_R_factor_gt           0.0322
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0515P)^2^+0.2513P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0840
_refine_ls_wR_factor_ref         0.0851
_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     direct
_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 -0.05444(11) -0.72461(11) -0.35553(8) 0.0268(3) Uani 1 1 d . . .
O2 O -0.04958(12) -0.57827(11) -0.51427(8) 0.0275(3) Uani 1 1 d . . .
N1 N 0.19066(13) -0.95360(12) -0.16948(8) 0.0189(3) Uani 1 1 d . . .
H1 H 0.1549 -1.0297 -0.1532 0.023 Uiso 1 1 calc R . .
N2 N 0.31769(15) -1.58180(14) -0.46175(10) 0.0297(3) Uani 1 1 d . . .
O3 O 0.09397(12) -0.73042(11) -0.57085(7) 0.0246(3) Uani 1 1 d . . .
C15 C 0.05715(15) -1.19705(16) -0.38151(11) 0.0219(3) Uani 1 1 d . . .
H15 H -0.0367 -1.1768 -0.3806 0.026 Uiso 1 1 calc R . .
C8 C 0.30201(15) -0.76456(15) -0.16276(10) 0.0213(3) Uani 1 1 d . . .
H8 H 0.3534 -0.6919 -0.1408 0.026 Uiso 1 1 calc R . .
C6 C 0.18102(14) -0.89792(14) -0.25548(10) 0.0172(3) Uani 1 1 d . . .
C12 C 0.33147(15) -1.25614(15) -0.38277(10) 0.0211(3) Uani 1 1 d . . .
H12 H 0.4253 -1.2765 -0.3832 0.025 Uiso 1 1 calc R . .
C7 C 0.25045(14) -0.78057(15) -0.25312(10) 0.0197(3) Uani 1 1 d . . .
H7 H 0.2619 -0.7209 -0.3028 0.024 Uiso 1 1 calc R . .
C4 C 0.01445(16) -0.67855(15) -0.50732(11) 0.0217(3) Uani 1 1 d . . .
C11 C 0.28738(15) -1.13271(15) -0.35427(10) 0.0194(3) Uani 1 1 d . . .
H11 H 0.3515 -1.0685 -0.3351 0.023 Uiso 1 1 calc R . .
C2 C 0.10276(16) -0.88299(15) -0.41863(10) 0.0199(3) Uani 1 1 d . . .
H2A H 0.1973 -0.8559 -0.4311 0.024 Uiso 1 1 calc R . .
H2B H 0.0736 -0.9408 -0.4697 0.024 Uiso 1 1 calc R . .
C3 C 0.01512(15) -0.76162(15) -0.41851(10) 0.0209(3) Uani 1 1 d . . .
C13 C 0.23709(16) -1.35005(14) -0.41083(10) 0.0195(3) Uani 1 1 d . . .
C16 C 0.28190(16) -1.47869(16) -0.43986(11) 0.0226(3) Uani 1 1 d . . .
C10 C 0.15029(15) -1.10223(15) -0.35350(9) 0.0176(3) Uani 1 1 d . . .
C9 C 0.26403(15) -0.87295(16) -0.11332(11) 0.0214(3) Uani 1 1 d . . .
H9 H 0.2850 -0.8894 -0.0507 0.026 Uiso 1 1 calc R . .
C14 C 0.09928(16) -1.32028(15) -0.41061(11) 0.0240(3) Uani 1 1 d . . .
H14 H 0.0350 -1.3841 -0.4303 0.029 Uiso 1 1 calc R . .
C1 C 0.10056(14) -0.96363(15) -0.32984(10) 0.0183(3) Uani 1 1 d . . .
H1A H 0.0045 -0.9705 -0.3087 0.022 Uiso 1 1 calc R . .
C5 C 0.1095(2) -0.65417(18) -0.65412(12) 0.0320(4) Uani 1 1 d . . .
H5A H 0.1386 -0.5644 -0.6386 0.048 Uiso 1 1 calc R . .
H5B H 0.0228 -0.6506 -0.6867 0.048 Uiso 1 1 calc R . .
H5C H 0.1776 -0.6959 -0.6935 0.048 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 0.0285(6) 0.0280(6) 0.0240(6) -0.0038(5) -0.0021(5) 0.0081(5)
O2 0.0324(6) 0.0214(6) 0.0288(6) -0.0031(5) -0.0069(5) 0.0057(5)
N1 0.0196(6) 0.0198(6) 0.0173(6) 0.0018(5) 0.0010(5) 0.0004(5)
N2 0.0312(8) 0.0233(7) 0.0345(8) -0.0050(6) 0.0014(6) 0.0010(6)
O3 0.0306(6) 0.0230(5) 0.0202(5) 0.0001(4) -0.0018(5) 0.0027(5)
C15 0.0157(7) 0.0258(8) 0.0243(7) -0.0034(6) 0.0021(6) -0.0002(6)
C8 0.0159(6) 0.0223(7) 0.0255(8) -0.0048(6) -0.0046(6) 0.0016(6)
C6 0.0161(7) 0.0193(7) 0.0162(6) 0.0004(6) 0.0015(6) 0.0029(6)
C12 0.0165(7) 0.0251(7) 0.0217(7) 0.0017(6) -0.0007(6) 0.0024(6)
C7 0.0185(6) 0.0193(7) 0.0212(7) 0.0009(6) 0.0013(6) 0.0007(6)
C4 0.0211(7) 0.0204(7) 0.0235(8) -0.0052(6) -0.0078(6) 0.0014(6)
C11 0.0170(7) 0.0220(7) 0.0191(7) 0.0012(6) -0.0012(6) -0.0038(6)
C2 0.0220(7) 0.0215(7) 0.0160(7) -0.0015(5) -0.0025(6) 0.0028(6)
C3 0.0207(7) 0.0209(7) 0.0211(7) -0.0047(6) -0.0051(6) 0.0006(6)
C13 0.0233(7) 0.0190(7) 0.0162(7) 0.0022(6) 0.0042(6) 0.0005(6)
C16 0.0216(7) 0.0255(8) 0.0208(7) 0.0018(6) 0.0023(6) -0.0027(6)
C10 0.0199(7) 0.0206(7) 0.0123(6) 0.0007(6) 0.0009(5) -0.0003(6)
C9 0.0196(7) 0.0268(8) 0.0177(7) -0.0025(6) -0.0040(6) 0.0040(6)
C14 0.0211(8) 0.0235(7) 0.0276(8) -0.0052(6) 0.0052(7) -0.0070(6)
C1 0.0161(7) 0.0215(7) 0.0172(7) -0.0010(6) -0.0007(6) 0.0012(6)
C5 0.0398(10) 0.0342(9) 0.0219(8) 0.0046(7) -0.0031(8) 0.0028(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 C3 1.206(2) . ?
O2 C4 1.2006(19) . ?
N1 H1 0.8800 . ?
N1 C6 1.3775(19) . ?
N1 C9 1.365(2) . ?
N2 C16 1.148(2) . ?
O3 C4 1.323(2) . ?
O3 C5 1.447(2) . ?
C15 H15 0.9500 . ?
C15 C10 1.391(2) . ?
C15 C14 1.382(2) . ?
C8 H8 0.9500 . ?
C8 C7 1.421(2) . ?
C8 C9 1.365(2) . ?
C6 C7 1.372(2) . ?
C6 C1 1.500(2) . ?
C12 H12 0.9500 . ?
C12 C11 1.387(2) . ?
C12 C13 1.393(2) . ?
C7 H7 0.9500 . ?
C4 C3 1.544(2) . ?
C11 H11 0.9500 . ?
C11 C10 1.389(2) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.503(2) . ?
C2 C1 1.530(2) . ?
C13 C16 1.439(2) . ?
C13 C14 1.395(2) . ?
C10 C1 1.526(2) . ?
C9 H9 0.9500 . ?
C14 H14 0.9500 . ?
C1 H1A 1.0000 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 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
C6 N1 H1 125.1 . . ?
C9 N1 H1 125.1 . . ?
C9 N1 C6 109.72(13) . . ?
C4 O3 C5 115.98(13) . . ?
C10 C15 H15 119.5 . . ?
C14 C15 H15 119.5 . . ?
C14 C15 C10 120.92(14) . . ?
C7 C8 H8 126.3 . . ?
C9 C8 H8 126.3 . . ?
C9 C8 C7 107.39(14) . . ?
N1 C6 C1 120.83(13) . . ?
C7 C6 N1 107.28(13) . . ?
C7 C6 C1 131.85(13) . . ?
C11 C12 H12 120.2 . . ?
C11 C12 C13 119.52(13) . . ?
C13 C12 H12 120.2 . . ?
C8 C7 H7 126.2 . . ?
C6 C7 C8 107.52(13) . . ?
C6 C7 H7 126.2 . . ?
O2 C4 O3 126.13(15) . . ?
O2 C4 C3 122.26(15) . . ?
O3 C4 C3 111.58(13) . . ?
C12 C11 H11 119.7 . . ?
C12 C11 C10 120.58(14) . . ?
C10 C11 H11 119.7 . . ?
H2A C2 H2B 107.5 . . ?
C3 C2 H2A 108.5 . . ?
C3 C2 H2B 108.5 . . ?
C3 C2 C1 115.28(12) . . ?
C1 C2 H2A 108.5 . . ?
C1 C2 H2B 108.5 . . ?
O1 C3 C4 117.79(13) . . ?
O1 C3 C2 125.66(14) . . ?
C2 C3 C4 116.55(13) . . ?
C12 C13 C16 119.87(14) . . ?
C12 C13 C14 120.35(14) . . ?
C14 C13 C16 119.77(14) . . ?
N2 C16 C13 179.05(17) . . ?
C15 C10 C1 119.21(13) . . ?
C11 C10 C15 119.29(14) . . ?
C11 C10 C1 121.33(13) . . ?
N1 C9 C8 108.09(13) . . ?
N1 C9 H9 126.0 . . ?
C8 C9 H9 126.0 . . ?
C15 C14 C13 119.34(14) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C6 C1 C2 111.52(12) . . ?
C6 C1 C10 113.61(12) . . ?
C6 C1 H1A 108.1 . . ?
C2 C1 H1A 108.1 . . ?
C10 C1 C2 107.16(12) . . ?
C10 C1 H1A 108.1 . . ?
O3 C5 H5A 109.5 . . ?
O3 C5 H5B 109.5 . . ?
O3 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 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
O2 C4 C3 O1 1.9(2) . . . . ?
O2 C4 C3 C2 -178.42(14) . . . . ?
N1 C6 C7 C8 -0.67(16) . . . . ?
N1 C6 C1 C2 179.19(12) . . . . ?
N1 C6 C1 C10 -59.58(17) . . . . ?
O3 C4 C3 O1 -179.56(13) . . . . ?
O3 C4 C3 C2 0.09(18) . . . . ?
C15 C10 C1 C6 147.35(14) . . . . ?
C15 C10 C1 C2 -89.01(16) . . . . ?
C6 N1 C9 C8 0.09(17) . . . . ?
C12 C11 C10 C15 0.1(2) . . . . ?
C12 C11 C10 C1 -174.98(13) . . . . ?
C12 C13 C16 N2 83(10) . . . . ?
C12 C13 C14 C15 -0.6(2) . . . . ?
C7 C8 C9 N1 -0.50(17) . . . . ?
C7 C6 C1 C2 1.9(2) . . . . ?
C7 C6 C1 C10 123.18(17) . . . . ?
C11 C12 C13 C16 -179.54(14) . . . . ?
C11 C12 C13 C14 0.2(2) . . . . ?
C11 C10 C1 C6 -37.54(19) . . . . ?
C11 C10 C1 C2 86.10(17) . . . . ?
C3 C2 C1 C6 -75.20(16) . . . . ?
C3 C2 C1 C10 159.88(12) . . . . ?
C13 C12 C11 C10 0.0(2) . . . . ?
C16 C13 C14 C15 179.18(14) . . . . ?
C10 C15 C14 C13 0.7(2) . . . . ?
C9 N1 C6 C7 0.38(16) . . . . ?
C9 N1 C6 C1 -177.47(12) . . . . ?
C9 C8 C7 C6 0.73(17) . . . . ?
C14 C15 C10 C11 -0.5(2) . . . . ?
C14 C15 C10 C1 174.72(14) . . . . ?
C14 C13 C16 N2 -97(10) . . . . ?
C1 C6 C7 C8 176.85(14) . . . . ?
C1 C2 C3 O1 0.0(2) . . . . ?
C1 C2 C3 C4 -179.64(12) . . . . ?
C5 O3 C4 O2 3.5(2) . . . . ?
C5 O3 C4 C3 -174.98(13) . . . . ?