#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/19/4301929.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4301929
loop_
_publ_author_name
'Pedro Adão'
'João Costa Pessoa'
'Rui T. Henriques'
'Maxim L. Kuznetsov'
'Fernando Avecilla'
'Mannar R. Maurya'
'Umesh Kumar'
'Isabel Correia'
_publ_contact_author_address
;
Centro Quimica Estrutural
Instituto Superior Tecnico, TU Lisbon
Av. Rovisco Pais, 1049-001
LISBOA, Portugal
;
_publ_contact_author_email       joao.pessoa@mail.ist.utl.pt
_publ_contact_author_name        'Costa--Pessoa, João'
_publ_section_title
;
Synthesis, Characterization, and Application of Vanadium-Salan Complexes
in Oxygen Transfer Reactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3542
_journal_page_last               3561
_journal_paper_doi               10.1021/ic8017985
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C24 H30 N2 O4'
_chemical_formula_sum            'C24 H30 N2 O4'
_chemical_formula_weight         410.50
_chemical_name_systematic
; 

 ? 

;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                116.1610(10)
_cell_angle_beta                 109.6540(10)
_cell_angle_gamma                97.3130(10)
_cell_formula_units_Z            2
_cell_length_a                   10.0324(4)
_cell_length_b                   11.5043(5)
_cell_length_c                   11.7327(5)
_cell_measurement_temperature    100(2)
_cell_volume                     1082.07(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0297
_diffrn_reflns_av_sigmaI/netI    0.0353
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14827
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         2.08
_exptl_absorpt_coefficient_mu    0.086
_exptl_absorpt_correction_T_max  0.9857
_exptl_absorpt_correction_T_min  0.9769
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'North et al., 1968'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             440
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.352
_refine_diff_density_min         -0.216
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     391
_refine_ls_number_reflns         5347
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0573
_refine_ls_R_factor_gt           0.0397
_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/[σ²(Fo²)+(0.0480P)²+0.2221P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0942
_refine_ls_wR_factor_ref         0.1020
_reflns_number_gt                4118
_reflns_number_total             5347
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8017985_si_002_3.cif
_cod_data_source_block           3c
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_Hall     -P1
_cod_database_code               4301929
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
N1 N 0.69413(11) 0.50201(10) 0.38199(10) 0.0165(2) Uani 1 1 d . . .
O1 O 0.70615(9) 0.26026(9) 0.33096(9) 0.01897(19) Uani 1 1 d . . .
H1O H 0.732(2) 0.357(2) 0.3711(19) 0.047(5) Uiso 1 1 d . . .
C1 C 0.55967(13) 0.21206(12) 0.23875(12) 0.0158(2) Uani 1 1 d . . .
N2 N 0.87679(11) 0.60001(10) 0.28363(10) 0.0169(2) Uani 1 1 d . . .
O2 O 0.73360(10) 0.53496(9) 0.01789(10) 0.01916(19) Uani 1 1 d . . .
H2O H 0.768(2) 0.580(2) 0.116(2) 0.059(6) Uiso 1 1 d . . .
C2 C 0.48340(13) 0.07038(12) 0.16624(12) 0.0168(2) Uani 1 1 d . . .
O3 O 0.56792(9) -0.00463(8) 0.19889(9) 0.01932(19) Uani 1 1 d . . .
C3 C 0.33326(14) 0.01829(13) 0.07169(13) 0.0193(3) Uani 1 1 d . . .
H3 H 0.2815(16) -0.0784(15) 0.0215(15) 0.022(4) Uiso 1 1 d . . .
O4 O 0.69584(10) 0.39682(9) -0.24409(9) 0.0205(2) Uani 1 1 d . . .
C4 C 0.25703(14) 0.10474(13) 0.04697(13) 0.0208(3) Uani 1 1 d . . .
H4 H 0.1505(17) 0.0662(15) -0.0214(16) 0.027(4) Uiso 1 1 d . . .
C5 C 0.33061(13) 0.24290(13) 0.11580(13) 0.0185(3) Uani 1 1 d . . .
H5 H 0.2807(16) 0.3035(15) 0.0982(15) 0.023(4) Uiso 1 1 d . . .
C6 C 0.48249(13) 0.29798(12) 0.21306(12) 0.0154(2) Uani 1 1 d . . .
C7 C 0.55953(13) 0.44458(12) 0.28443(12) 0.0165(2) Uani 1 1 d . . .
H7 H 0.5025(15) 0.4979(14) 0.2548(14) 0.016(3) Uiso 1 1 d . . .
C8 C 0.76335(13) 0.64899(12) 0.44593(12) 0.0159(2) Uani 1 1 d . . .
H8 H 0.6933(15) 0.6840(13) 0.3939(14) 0.013(3) Uiso 1 1 d . . .
C9 C 0.79228(15) 0.72603(13) 0.60082(13) 0.0199(3) Uani 1 1 d . . .
H9B H 0.8536(17) 0.6840(15) 0.6484(16) 0.027(4) Uiso 1 1 d . . .
H9A H 0.6963(17) 0.7104(14) 0.6070(15) 0.024(4) Uiso 1 1 d . . .
C10 C 0.87335(15) 0.87862(13) 0.67261(14) 0.0220(3) Uani 1 1 d . . .
H10B H 0.8946(16) 0.9251(15) 0.7754(16) 0.027(4) Uiso 1 1 d . . .
H10A H 0.8036(16) 0.9204(15) 0.6284(15) 0.024(4) Uiso 1 1 d . . .
C11 C 1.01860(15) 0.90345(13) 0.65853(13) 0.0221(3) Uani 1 1 d . . .
H11B H 1.0911(17) 0.8735(15) 0.7098(16) 0.026(4) Uiso 1 1 d . . .
H11A H 1.0654(17) 1.0042(16) 0.7015(16) 0.028(4) Uiso 1 1 d . . .
C12 C 0.99035(15) 0.82583(13) 0.50383(13) 0.0205(3) Uani 1 1 d . . .
H12B H 0.9250(15) 0.8604(14) 0.4493(14) 0.019(3) Uiso 1 1 d . . .
H12A H 1.0883(17) 0.8378(15) 0.4987(16) 0.028(4) Uiso 1 1 d . . .
C13 C 0.91065(13) 0.67259(12) 0.43357(12) 0.0166(2) Uani 1 1 d . . .
H13 H 0.9777(15) 0.6368(14) 0.4847(15) 0.018(3) Uiso 1 1 d . . .
C14 C 0.92584(13) 0.50020(12) 0.23820(13) 0.0165(2) Uani 1 1 d . . .
H14 H 0.9875(16) 0.4727(14) 0.3032(15) 0.022(4) Uiso 1 1 d . . .
C15 C 0.89836(13) 0.41929(12) 0.09063(12) 0.0162(2) Uani 1 1 d . . .
C16 C 0.96945(14) 0.32086(12) 0.05260(13) 0.0180(2) Uani 1 1 d . . .
H16 H 1.0359(16) 0.3074(14) 0.1265(15) 0.023(4) Uiso 1 1 d . . .
C17 C 0.95128(14) 0.24816(12) -0.08416(13) 0.0189(3) Uani 1 1 d . . .
H17 H 1.0013(16) 0.1818(14) -0.1116(15) 0.021(4) Uiso 1 1 d . . .
C18 C 0.86007(13) 0.27060(12) -0.18681(13) 0.0174(2) Uani 1 1 d . . .
H18 H 0.8498(16) 0.2192(15) -0.2815(16) 0.023(4) Uiso 1 1 d . . .
C19 C 0.78688(13) 0.36594(12) -0.15231(12) 0.0159(2) Uani 1 1 d . . .
C20 C 0.80592(13) 0.44204(11) -0.01211(12) 0.0153(2) Uani 1 1 d . . .
C21 C 0.49121(15) -0.14821(12) 0.13308(14) 0.0204(3) Uani 1 1 d . . .
H21A H 0.4047(17) -0.1589(15) 0.1557(15) 0.025(4) Uiso 1 1 d . . .
H21B H 0.4502(16) -0.1932(14) 0.0256(16) 0.022(4) Uiso 1 1 d . . .
C22 C 0.60221(17) -0.20802(14) 0.18994(16) 0.0262(3) Uani 1 1 d . . .
H22C H 0.6863(19) -0.2012(16) 0.1630(17) 0.034(4) Uiso 1 1 d . . .
H22B H 0.6500(18) -0.1582(16) 0.2970(18) 0.037(4) Uiso 1 1 d . . .
H22A H 0.5506(19) -0.3051(18) 0.1492(18) 0.039(5) Uiso 1 1 d . . .
C23 C 0.66667(15) 0.31899(14) -0.39045(13) 0.0220(3) Uani 1 1 d . . .
H23A H 0.7626(16) 0.3175(14) -0.3962(14) 0.019(3) Uiso 1 1 d . . .
H23B H 0.6222(16) 0.3743(15) -0.4310(15) 0.026(4) Uiso 1 1 d . . .
C24 C 0.55795(16) 0.17584(15) -0.46700(15) 0.0261(3) Uani 1 1 d . . .
H24C H 0.5964(17) 0.1232(15) -0.4247(16) 0.029(4) Uiso 1 1 d . . .
H24B H 0.5402(19) 0.1233(17) -0.5668(19) 0.043(5) Uiso 1 1 d . . .
H24A H 0.4589(19) 0.1791(16) -0.4685(17) 0.038(4) Uiso 1 1 d . . .
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'
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
C7 N1 C8 118.23(10) . . ?
C1 O1 H1O 104.0(11) . . ?
O1 C1 C6 122.25(10) . . ?
O1 C1 C2 118.33(10) . . ?
C6 C1 C2 119.42(11) . . ?
C14 N2 C13 118.01(10) . . ?
C20 O2 H2O 104.5(12) . . ?
O3 C2 C3 125.36(11) . . ?
O3 C2 C1 115.06(10) . . ?
C3 C2 C1 119.58(11) . . ?
C2 O3 C21 116.43(9) . . ?
C2 C3 C4 120.64(11) . . ?
C2 C3 H3 119.6(8) . . ?
C4 C3 H3 119.8(8) . . ?
C19 O4 C23 117.70(9) . . ?
C5 C4 C3 120.35(12) . . ?
C5 C4 H4 119.8(8) . . ?
C3 C4 H4 119.8(8) . . ?
C4 C5 C6 119.91(11) . . ?
C4 C5 H5 121.5(9) . . ?
C6 C5 H5 118.6(9) . . ?
C1 C6 C5 120.10(11) . . ?
C1 C6 C7 120.55(11) . . ?
C5 C6 C7 119.33(10) . . ?
N1 C7 C6 121.97(11) . . ?
N1 C7 H7 121.3(8) . . ?
C6 C7 H7 116.8(8) . . ?
N1 C8 C9 110.37(9) . . ?
N1 C8 C13 108.55(9) . . ?
C9 C8 C13 110.50(10) . . ?
N1 C8 H8 109.4(7) . . ?
C9 C8 H8 108.4(7) . . ?
C13 C8 H8 109.7(7) . . ?
C10 C9 C8 111.43(10) . . ?
C10 C9 H9B 110.9(9) . . ?
C8 C9 H9B 107.1(9) . . ?
C10 C9 H9A 111.0(8) . . ?
C8 C9 H9A 109.6(9) . . ?
H9B C9 H9A 106.6(12) . . ?
C9 C10 C11 111.33(11) . . ?
C9 C10 H10B 109.1(8) . . ?
C11 C10 H10B 110.3(9) . . ?
C9 C10 H10A 109.0(8) . . ?
C11 C10 H10A 110.4(8) . . ?
H10B C10 H10A 106.6(11) . . ?
C10 C11 C12 111.25(11) . . ?
C10 C11 H11B 111.3(9) . . ?
C12 C11 H11B 107.8(9) . . ?
C10 C11 H11A 109.0(9) . . ?
C12 C11 H11A 110.2(9) . . ?
H11B C11 H11A 107.2(12) . . ?
C11 C12 C13 111.07(10) . . ?
C11 C12 H12B 110.5(8) . . ?
C13 C12 H12B 107.5(8) . . ?
C11 C12 H12A 109.3(9) . . ?
C13 C12 H12A 108.5(9) . . ?
H12B C12 H12A 109.9(12) . . ?
N2 C13 C12 110.79(9) . . ?
N2 C13 C8 108.45(9) . . ?
C12 C13 C8 110.56(10) . . ?
N2 C13 H13 110.8(8) . . ?
C12 C13 H13 107.8(8) . . ?
C8 C13 H13 108.5(8) . . ?
N2 C14 C15 123.07(11) . . ?
N2 C14 H14 121.4(8) . . ?
C15 C14 H14 115.5(8) . . ?
C16 C15 C20 119.81(11) . . ?
C16 C15 C14 119.29(11) . . ?
C20 C15 C14 120.87(11) . . ?
C17 C16 C15 120.40(11) . . ?
C17 C16 H16 120.7(8) . . ?
C15 C16 H16 118.9(8) . . ?
C16 C17 C18 120.14(11) . . ?
C16 C17 H17 121.5(8) . . ?
C18 C17 H17 118.4(8) . . ?
C19 C18 C17 120.56(11) . . ?
C19 C18 H18 120.8(9) . . ?
C17 C18 H18 118.7(9) . . ?
O4 C19 C18 125.44(11) . . ?
O4 C19 C20 114.78(10) . . ?
C18 C19 C20 119.78(11) . . ?
O2 C20 C15 122.56(10) . . ?
O2 C20 C19 118.13(10) . . ?
C15 C20 C19 119.31(10) . . ?
O3 C21 C22 107.35(10) . . ?
O3 C21 H21A 109.0(8) . . ?
C22 C21 H21A 111.6(8) . . ?
O3 C21 H21B 109.0(8) . . ?
C22 C21 H21B 111.8(8) . . ?
H21A C21 H21B 108.1(11) . . ?
C21 C22 H22C 111.3(9) . . ?
C21 C22 H22B 112.1(9) . . ?
H22C C22 H22B 106.2(13) . . ?
C21 C22 H22A 108.4(10) . . ?
H22C C22 H22A 108.2(13) . . ?
H22B C22 H22A 110.5(13) . . ?
O4 C23 C24 112.41(10) . . ?
O4 C23 H23A 109.2(8) . . ?
C24 C23 H23A 111.6(8) . . ?
O4 C23 H23B 103.5(8) . . ?
C24 C23 H23B 110.7(8) . . ?
H23A C23 H23B 109.1(12) . . ?
C23 C24 H24C 111.7(9) . . ?
C23 C24 H24B 111.5(10) . . ?
H24C C24 H24B 106.0(13) . . ?
C23 C24 H24A 110.6(9) . . ?
H24C C24 H24A 110.4(13) . . ?
H24B C24 H24A 106.5(13) . . ?
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
N1 C7 1.2793(16) . ?
N1 C8 1.4617(15) . ?
O1 C1 1.3533(14) . ?
O1 H1O 0.951(19) . ?
C1 C6 1.4028(16) . ?
C1 C2 1.4099(16) . ?
N2 C14 1.2749(15) . ?
N2 C13 1.4622(15) . ?
O2 C20 1.3529(14) . ?
O2 H2O 0.94(2) . ?
C2 O3 1.3675(14) . ?
C2 C3 1.3851(17) . ?
O3 C21 1.4383(14) . ?
C3 C4 1.3990(17) . ?
C3 H3 0.961(14) . ?
O4 C19 1.3705(14) . ?
O4 C23 1.4407(15) . ?
C4 C5 1.3754(18) . ?
C4 H4 0.985(15) . ?
C5 C6 1.4044(17) . ?
C5 H5 0.962(15) . ?
C6 C7 1.4596(16) . ?
C7 H7 0.983(14) . ?
C8 C9 1.5271(16) . ?
C8 C13 1.5346(16) . ?
C8 H8 1.014(13) . ?
C9 C10 1.5246(18) . ?
C9 H9B 1.003(15) . ?
C9 H9A 0.990(15) . ?
C10 C11 1.5264(18) . ?
C10 H10B 1.008(15) . ?
C10 H10A 1.025(15) . ?
C11 C12 1.5273(17) . ?
C11 H11B 0.980(15) . ?
C11 H11A 1.003(15) . ?
C12 C13 1.5307(17) . ?
C12 H12B 1.004(14) . ?
C12 H12A 1.001(16) . ?
C13 H13 0.999(14) . ?
C14 C15 1.4604(16) . ?
C14 H14 1.005(14) . ?
C15 C16 1.4015(16) . ?
C15 C20 1.4034(16) . ?
C16 C17 1.3742(17) . ?
C16 H16 0.988(14) . ?
C17 C18 1.3954(17) . ?
C17 H17 0.964(14) . ?
C18 C19 1.3855(16) . ?
C18 H18 0.961(15) . ?
C19 C20 1.4089(16) . ?
C21 C22 1.5029(18) . ?
C21 H21A 0.998(15) . ?
C21 H21B 1.024(15) . ?
C22 H22C 1.001(17) . ?
C22 H22B 1.013(17) . ?
C22 H22A 0.980(17) . ?
C23 C24 1.5125(19) . ?
C23 H23A 0.989(14) . ?
C23 H23B 1.014(15) . ?
C24 H24C 0.979(16) . ?
C24 H24B 0.988(18) . ?
C24 H24A 0.994(17) . ?
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
O1 H1O N1 0.951(19) 1.721(19) 2.6025(13) 152.6(16) .
O2 H2O N2 0.94(2) 1.79(2) 2.6458(13) 151.4(18) .
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 C2 O3 0.54(15) . . . . ?
C6 C1 C2 O3 -179.72(10) . . . . ?
O1 C1 C2 C3 179.72(10) . . . . ?
C6 C1 C2 C3 -0.53(17) . . . . ?
C3 C2 O3 C21 -2.71(17) . . . . ?
C1 C2 O3 C21 176.42(10) . . . . ?
O3 C2 C3 C4 179.47(11) . . . . ?
C1 C2 C3 C4 0.37(18) . . . . ?
C2 C3 C4 C5 0.38(19) . . . . ?
C3 C4 C5 C6 -0.97(18) . . . . ?
O1 C1 C6 C5 179.68(10) . . . . ?
C2 C1 C6 C5 -0.05(17) . . . . ?
O1 C1 C6 C7 1.04(17) . . . . ?
C2 C1 C6 C7 -178.70(10) . . . . ?
C4 C5 C6 C1 0.80(18) . . . . ?
C4 C5 C6 C7 179.47(11) . . . . ?
C8 N1 C7 C6 178.95(10) . . . . ?
C1 C6 C7 N1 -6.98(17) . . . . ?
C5 C6 C7 N1 174.37(11) . . . . ?
C7 N1 C8 C9 113.58(12) . . . . ?
C7 N1 C8 C13 -125.17(11) . . . . ?
N1 C8 C9 C10 176.45(10) . . . . ?
C13 C8 C9 C10 56.37(13) . . . . ?
C8 C9 C10 C11 -55.40(14) . . . . ?
C9 C10 C11 C12 54.81(15) . . . . ?
C10 C11 C12 C13 -55.67(15) . . . . ?
C14 N2 C13 C12 123.96(11) . . . . ?
C14 N2 C13 C8 -114.53(12) . . . . ?
C11 C12 C13 N2 176.97(10) . . . . ?
C11 C12 C13 C8 56.71(13) . . . . ?
N1 C8 C13 N2 60.32(12) . . . . ?
C9 C8 C13 N2 -178.51(9) . . . . ?
N1 C8 C13 C12 -178.03(9) . . . . ?
C9 C8 C13 C12 -56.86(13) . . . . ?
C13 N2 C14 C15 179.51(10) . . . . ?
N2 C14 C15 C16 173.30(11) . . . . ?
N2 C14 C15 C20 -4.60(18) . . . . ?
C20 C15 C16 C17 1.14(17) . . . . ?
C14 C15 C16 C17 -176.78(11) . . . . ?
C15 C16 C17 C18 -0.87(18) . . . . ?
C16 C17 C18 C19 -0.06(18) . . . . ?
C23 O4 C19 C18 3.57(17) . . . . ?
C23 O4 C19 C20 -177.58(10) . . . . ?
C17 C18 C19 O4 179.50(11) . . . . ?
C17 C18 C19 C20 0.70(17) . . . . ?
C16 C15 C20 O2 179.59(10) . . . . ?
C14 C15 C20 O2 -2.52(17) . . . . ?
C16 C15 C20 C19 -0.50(17) . . . . ?
C14 C15 C20 C19 177.39(10) . . . . ?
O4 C19 C20 O2 0.58(15) . . . . ?
C18 C19 C20 O2 179.51(10) . . . . ?
O4 C19 C20 C15 -179.34(10) . . . . ?
C18 C19 C20 C15 -0.41(17) . . . . ?
C2 O3 C21 C22 -176.77(10) . . . . ?
C19 O4 C23 C24 74.87(14) . . . . ?
