#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/90/2209070.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2209070
loop_
_publ_author_name
'Yun-Feng Chen'
'Mei Xu'
'An-Xin Wu'
_publ_section_title
;Diethyl
 5,10-dihydro-6-iodo-4,11-dioxo-cis-1H,3H,4H,11H-2-oxa-3a,4a,10a,11a-tetraazabenz[f]indeno[2,1,7-ija]azulene-11b,11c-dicarboxylate
;
_journal_coeditor_code           AT2031
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2254
_journal_page_last               o2255
_journal_paper_doi               10.1107/S1600536806016011
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'C20 H21 I N4 O7'
_chemical_formula_moiety         'C20 H21 I N4 O7'
_chemical_formula_sum            'C20 H21 I N4 O7'
_chemical_formula_weight         556.31
_chemical_name_systematic
;
Diethyl
5,10-dihydro-6-iodo-4,11-dioxo-cis-1H,3H,4H,11H-2-oxa-3a,4a,10a,11a-
tetraazazbenz[f]indeno[2,1,7-ija]azulene-11b,11c-dicarboxylate
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.533(6)
_cell_length_b                   11.414(5)
_cell_length_c                   24.006(10)
_cell_measurement_reflns_used    4829
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      19.69
_cell_measurement_theta_min      2.37
_cell_volume                     4256(3)
_computing_cell_refinement       'SAINT-Plus (Bruker,  2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  PLATON
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      292(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1343
_diffrn_reflns_av_sigmaI/netI    0.0746
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            46045
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    1.556
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.736
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2224
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.971
_refine_diff_density_min         -0.921
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.944
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         4856
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.944
_refine_ls_R_factor_all          0.1024
_refine_ls_R_factor_gt           0.0592
_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/[σ²(Fo²)+(0.075P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1319
_refine_ls_wR_factor_ref         0.1481
_reflns_number_gt                2978
_reflns_number_total             4856
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            at2031.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2209070
_cod_database_fobs_code          2209070
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'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.1317(3) 0.6780(4) 1.0936(2) 0.0352(11) Uani d . 1 . .
C C2 0.1706(4) 0.7379(5) 1.1377(2) 0.0514(15) Uani d . 1 . .
H H2 0.1549 0.7215 1.1743 0.062 Uiso calc R 1 . .
C C3 0.2314(4) 0.8198(6) 1.1269(2) 0.0584(17) Uani d . 1 . .
H H3 0.2574 0.8599 1.1561 0.070 Uiso calc R 1 . .
C C4 0.2551(3) 0.8444(5) 1.0722(2) 0.0470(13) Uani d . 1 . .
H H4 0.2963 0.9017 1.0652 0.056 Uiso calc R 1 . .
C C5 0.2181(3) 0.7849(4) 1.02803(19) 0.0290(10) Uani d . 1 . .
C C6 0.1542(3) 0.6992(4) 1.03898(18) 0.0282(10) Uani d . 1 . .
C C7 0.1162(3) 0.6302(4) 0.98996(17) 0.0274(10) Uani d . 1 . .
H H7A 0.1624 0.5881 0.9716 0.033 Uiso calc R 1 . .
H H7B 0.0763 0.5725 1.0045 0.033 Uiso calc R 1 . .
C C8 0.2459(3) 0.8138(4) 0.9703(2) 0.0326(11) Uani d . 1 . .
H H8A 0.2895 0.8746 0.9722 0.039 Uiso calc R 1 . .
H H8B 0.2725 0.7449 0.9541 0.039 Uiso calc R 1 . .
C C9 -0.0100(3) 0.7451(4) 0.95908(18) 0.0266(10) Uani d . 1 A .
C C10 0.1498(3) 0.9652(4) 0.93250(19) 0.0283(10) Uani d . 1 A .
C C11 0.1183(3) 0.7711(4) 0.90862(17) 0.0244(9) Uani d . 1 . .
C C12 0.1670(3) 0.6994(4) 0.8643(2) 0.0328(11) Uani d . 1 . .
C C13 0.2020(4) 0.5120(5) 0.8299(2) 0.0457(13) Uani d . 1 . .
H H13A 0.1979 0.4321 0.8434 0.055 Uiso calc R 1 . .
H H13B 0.2617 0.5361 0.8324 0.055 Uiso calc R 1 . .
C C14 0.1739(4) 0.5161(6) 0.7703(2) 0.0635(18) Uani d . 1 . .
H H14A 0.1146 0.4933 0.7677 0.095 Uiso calc R 1 . .
H H14B 0.2086 0.4632 0.7487 0.095 Uiso calc R 1 . .
H H14C 0.1807 0.5943 0.7562 0.095 Uiso calc R 1 . .
C C15 0.0478(3) 0.8542(4) 0.88474(18) 0.0286(10) Uani d . 1 A .
C C16 0.0284(3) 0.8433(5) 0.8222(2) 0.0418(12) Uani d D 1 . .
C C17 -0.0194(4) 0.7153(6) 0.7512(2) 0.0608(17) Uani d . 1 . .
H H17A -0.0076 0.7835 0.7283 0.073 Uiso calc R 1 A .
H H17B 0.0161 0.6513 0.7377 0.073 Uiso calc R 1 . .
C C18 -0.1074(4) 0.6844(7) 0.7459(3) 0.082(2) Uani d . 1 A .
H H18A -0.1193 0.6174 0.7688 0.123 Uiso calc R 1 . .
H H18B -0.1198 0.6660 0.7078 0.123 Uiso calc R 1 . .
H H18C -0.1426 0.7489 0.7577 0.123 Uiso calc R 1 . .
C C19 -0.0916(3) 0.9155(4) 0.9240(2) 0.0371(12) Uani d . 1 A .
H H19A -0.1195 0.9326 0.8888 0.044 Uiso calc R 1 . .
H H19B -0.1354 0.8896 0.9501 0.044 Uiso calc R 1 . .
C C20 0.0122(4) 1.0592(4) 0.9075(3) 0.0449(13) Uani d . 1 A .
H H20A 0.0388 1.1293 0.9226 0.054 Uiso calc R 1 . .
H H20B -0.0146 1.0798 0.8724 0.054 Uiso calc R 1 . .
I I1 0.03876(3) 0.55284(4) 1.115638(16) 0.05707(18) Uani d . 1 . .
N N1 0.0717(2) 0.7007(3) 0.94882(14) 0.0227(8) Uani d . 1 . .
N N2 0.1777(2) 0.8530(3) 0.93373(15) 0.0259(8) Uani d . 1 . .
N N3 -0.0293(2) 0.8235(3) 0.91626(15) 0.0265(8) Uani d . 1 . .
N N4 0.0782(2) 0.9709(3) 0.89786(15) 0.0288(8) Uani d . 1 . .
O O1 -0.05713(19) 0.7168(3) 0.99608(14) 0.0371(8) Uani d . 1 . .
O O2 0.18354(19) 1.0479(2) 0.95556(14) 0.0354(8) Uani d . 1 . .
O O3 0.1493(2) 0.5883(3) 0.86506(14) 0.0346(8) Uani d . 1 . .
O O4 0.2156(3) 0.7454(3) 0.83333(19) 0.0789(15) Uani d . 1 . .
O O5 0.0257(10) 0.9260(6) 0.7911(3) 0.081(5) Uani d PD 0.78(2) A 1
O O5' 0.093(2) 0.871(4) 0.7905(8) 0.079(15) Uani d PD 0.22(2) A 2
O O6 0.0030(3) 0.7408(4) 0.80865(15) 0.0592(11) Uani d . 1 A .
O O7 -0.0516(2) 1.0192(3) 0.94482(16) 0.0423(9) Uani d . 1 . .
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'
I I -0.4742 1.8119 '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_publ_flag
C6 C1 C2 121.7(5) ?
C6 C1 I1 122.3(3) y
C2 C1 I1 116.0(4) ?
C3 C2 C1 119.5(5) ?
C3 C2 H2 120.2 ?
C1 C2 H2 120.2 ?
C2 C3 C4 120.4(5) ?
C2 C3 H3 119.8 ?
C4 C3 H3 119.8 ?
C5 C4 C3 120.9(5) ?
C5 C4 H4 119.6 ?
C3 C4 H4 119.6 ?
C4 C5 C6 119.2(4) ?
C4 C5 C8 118.9(4) ?
C6 C5 C8 121.9(4) ?
C1 C6 C5 118.3(4) ?
C1 C6 C7 122.8(4) ?
C5 C6 C7 118.8(4) y
N1 C7 C6 114.9(3) y
N1 C7 H7A 108.5 ?
C6 C7 H7A 108.5 ?
N1 C7 H7B 108.5 ?
C6 C7 H7B 108.5 ?
H7A C7 H7B 107.5 ?
N2 C8 C5 114.8(4) ?
N2 C8 H8A 108.6 ?
C5 C8 H8A 108.6 ?
N2 C8 H8B 108.6 ?
C5 C8 H8B 108.6 ?
H8A C8 H8B 107.5 ?
O1 C9 N1 126.3(4) ?
O1 C9 N3 126.1(4) ?
N1 C9 N3 107.5(4) ?
O2 C10 N2 126.0(4) ?
O2 C10 N4 125.6(4) ?
N2 C10 N4 108.3(4) ?
N2 C11 N1 113.5(3) y
N2 C11 C12 108.5(3) y
N1 C11 C12 114.2(3) ?
N2 C11 C15 102.1(3) ?
N1 C11 C15 103.4(3) ?
C12 C11 C15 114.5(4) ?
O4 C12 O3 125.3(4) ?
O4 C12 C11 120.7(4) ?
O3 C12 C11 113.9(4) ?
O3 C13 C14 111.8(4) ?
O3 C13 H13A 109.3 ?
C14 C13 H13A 109.3 ?
O3 C13 H13B 109.3 ?
C14 C13 H13B 109.3 ?
H13A C13 H13B 107.9 ?
C13 C14 H14A 109.5 ?
C13 C14 H14B 109.5 ?
H14A C14 H14B 109.5 ?
C13 C14 H14C 109.5 ?
H14A C14 H14C 109.5 ?
H14B C14 H14C 109.5 ?
N4 C15 N3 112.1(4) ?
N4 C15 C16 110.6(4) ?
N3 C15 C16 109.0(4) ?
N4 C15 C11 104.5(3) ?
N3 C15 C11 103.9(3) ?
C16 C15 C11 116.6(4) ?
O5 C16 O6 123.4(5) ?
O5 C16 O5' 58.2(17) ?
O6 C16 O5' 108.4(17) ?
O5 C16 C15 123.2(5) ?
O6 C16 C15 112.6(4) ?
O5' C16 C15 113.5(11) ?
C18 C17 O6 111.4(5) ?
C18 C17 H17A 109.3 ?
O6 C17 H17A 109.3 ?
C18 C17 H17B 109.3 ?
O6 C17 H17B 109.3 ?
H17A C17 H17B 108.0 ?
C17 C18 H18A 109.5 ?
C17 C18 H18B 109.5 ?
H18A C18 H18B 109.5 ?
C17 C18 H18C 109.5 ?
H18A C18 H18C 109.5 ?
H18B C18 H18C 109.5 ?
O7 C19 N3 111.0(3) y
O7 C19 H19A 109.4 ?
N3 C19 H19A 109.4 ?
O7 C19 H19B 109.4 ?
N3 C19 H19B 109.4 ?
H19A C19 H19B 108.0 ?
O7 C20 N4 111.8(4) ?
O7 C20 H20A 109.3 ?
N4 C20 H20A 109.3 ?
O7 C20 H20B 109.3 ?
N4 C20 H20B 109.3 ?
H20A C20 H20B 107.9 ?
C9 N1 C7 121.2(3) ?
C9 N1 C11 111.8(3) ?
C7 N1 C11 121.6(3) ?
C10 N2 C11 113.5(4) ?
C10 N2 C8 122.7(4) ?
C11 N2 C8 121.4(3) ?
C9 N3 C19 121.1(4) y
C9 N3 C15 111.1(3) ?
C19 N3 C15 116.3(4) y
C10 N4 C15 110.4(3) ?
C10 N4 C20 120.0(4) ?
C15 N4 C20 116.2(4) ?
C12 O3 C13 117.1(4) ?
C16 O6 C17 120.0(5) ?
C20 O7 C19 110.6(4) y
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C6 1.378(6) ?
C1 C2 1.399(7) ?
C1 I1 2.099(5) y
C2 C3 1.354(8) ?
C2 H2 0.9300 ?
C3 C4 1.392(8) ?
C3 H3 0.9300 ?
C4 C5 1.384(6) ?
C4 H4 0.9300 ?
C5 C6 1.418(6) ?
C5 C8 1.488(6) ?
C6 C7 1.534(6) y
C7 N1 1.449(5) y
C7 H7A 0.9700 ?
C7 H7B 0.9700 ?
C8 N2 1.448(5) ?
C8 H8A 0.9700 ?
C8 H8B 0.9700 ?
C9 O1 1.196(5) y
C9 N1 1.389(5) y
C9 N3 1.395(6) ?
C10 O2 1.214(5) ?
C10 N2 1.352(5) ?
C10 N4 1.390(6) ?
C11 N2 1.445(5) ?
C11 N1 1.449(5) ?
C11 C12 1.541(6) ?
C11 C15 1.558(6) ?
C12 O4 1.182(6) ?
C12 O3 1.297(5) ?
C13 O3 1.463(5) ?
C13 C14 1.496(7) ?
C13 H13A 0.9700 ?
C13 H13B 0.9700 ?
C14 H14A 0.9600 ?
C14 H14B 0.9600 ?
C14 H14C 0.9600 ?
C15 N4 1.448(6) ?
C15 N3 1.459(5) ?
C15 C16 1.537(6) ?
C16 O5 1.203(7) ?
C16 O6 1.276(6) ?
C16 O5' 1.30(2) ?
C17 C18 1.417(8) ?
C17 O6 1.452(6) ?
C17 H17A 0.9700 ?
C17 H17B 0.9700 ?
C18 H18A 0.9600 ?
C18 H18B 0.9600 ?
C18 H18C 0.9600 ?
C19 O7 1.427(6) y
C19 N3 1.440(6) y
C19 H19A 0.9700 ?
C19 H19B 0.9700 ?
C20 O7 1.411(7) ?
C20 N4 1.457(6) ?
C20 H20A 0.9700 ?
C20 H20B 0.9700 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C19 H19B O2 5_577 0.97 2.49 3.251(6) 135.2 yes
C13 H13A O4 8_655 0.97 2.53 3.302(6) 136.4 yes
C8 H8B O2 8_655 0.97 2.35 3.246(5) 153.3 yes
C7 H7A O2 8_655 0.97 2.47 3.353(5) 151.8 yes
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
C6 C1 C2 C3 0.7(8)
I1 C1 C2 C3 179.9(4)
C1 C2 C3 C4 0.0(9)
C2 C3 C4 C5 -0.9(9)
C3 C4 C5 C6 1.1(7)
C3 C4 C5 C8 -179.6(5)
C2 C1 C6 C5 -0.5(7)
I1 C1 C6 C5 -179.6(3)
C2 C1 C6 C7 176.6(4)
I1 C1 C6 C7 -2.6(6)
C4 C5 C6 C1 -0.4(6)
C8 C5 C6 C1 -179.7(4)
C4 C5 C6 C7 -177.6(4)
C8 C5 C6 C7 3.1(6)
C1 C6 C7 N1 121.4(4)
C5 C6 C7 N1 -61.6(5)
C4 C5 C8 N2 -121.4(4)
C6 C5 C8 N2 57.9(5)
N2 C11 C12 O4 -43.1(6)
N1 C11 C12 O4 -170.8(5)
C15 C11 C12 O4 70.2(6)
N2 C11 C12 O3 136.8(4)
N1 C11 C12 O3 9.1(6)
C15 C11 C12 O3 -109.9(4)
N2 C11 C15 N4 1.9(4)
N1 C11 C15 N4 119.9(3)
C12 C11 C15 N4 -115.2(4)
N2 C11 C15 N3 -115.8(3)
N1 C11 C15 N3 2.3(4)
C12 C11 C15 N3 127.2(4)
N2 C11 C15 C16 124.2(4)
N1 C11 C15 C16 -117.7(4)
C12 C11 C15 C16 7.2(5)
N4 C15 C16 O5 -11.2(11)
N3 C15 C16 O5 112.5(10)
C11 C15 C16 O5 -130.3(10)
N4 C15 C16 O6 178.7(4)
N3 C15 C16 O6 -57.7(6)
C11 C15 C16 O6 59.5(6)
N4 C15 C16 O5' 55(2)
N3 C15 C16 O5' 179(2)
C11 C15 C16 O5' -64(2)
O1 C9 N1 C7 -13.1(6)
N3 C9 N1 C7 170.6(3)
O1 C9 N1 C11 -167.5(4)
N3 C9 N1 C11 16.2(4)
C6 C7 N1 C9 -75.8(5)
C6 C7 N1 C11 76.0(5)
N2 C11 N1 C9 98.5(4)
C12 C11 N1 C9 -136.4(4)
C15 C11 N1 C9 -11.3(4)
N2 C11 N1 C7 -55.8(5)
C12 C11 N1 C7 69.4(5)
C15 C11 N1 C7 -165.5(3)
O2 C10 N2 C11 172.2(4)
N4 C10 N2 C11 -10.9(5)
O2 C10 N2 C8 9.6(7)
N4 C10 N2 C8 -173.5(4)
N1 C11 N2 C10 -105.3(4)
C12 C11 N2 C10 126.6(4)
C15 C11 N2 C10 5.4(4)
N1 C11 N2 C8 57.7(5)
C12 C11 N2 C8 -70.5(5)
C15 C11 N2 C8 168.3(3)
C5 C8 N2 C10 83.3(5)
C5 C8 N2 C11 -78.1(5)
O1 C9 N3 C19 27.3(7)
N1 C9 N3 C19 -156.4(4)
O1 C9 N3 C15 169.3(4)
N1 C9 N3 C15 -14.4(5)
O7 C19 N3 C9 89.7(5)
O7 C19 N3 C15 -50.4(5)
N4 C15 N3 C9 -105.0(4)
C16 C15 N3 C9 132.2(4)
C11 C15 N3 C9 7.2(4)
N4 C15 N3 C19 38.9(5)
C16 C15 N3 C19 -83.8(5)
C11 C15 N3 C19 151.1(4)
O2 C10 N4 C15 -171.2(4)
N2 C10 N4 C15 11.9(5)
O2 C10 N4 C20 -31.9(7)
N2 C10 N4 C20 151.2(4)
N3 C15 N4 C10 103.6(4)
C16 C15 N4 C10 -134.5(4)
C11 C15 N4 C10 -8.3(4)
N3 C15 N4 C20 -37.4(5)
C16 C15 N4 C20 84.4(5)
C11 C15 N4 C20 -149.3(4)
O7 C20 N4 C10 -88.7(5)
O7 C20 N4 C15 48.4(6)
O4 C12 O3 C13 8.5(8)
C11 C12 O3 C13 -171.4(4)
C14 C13 O3 C12 -79.5(6)
O5 C16 O6 C17 9.0(12)
O5' C16 O6 C17 -55(2)
C15 C16 O6 C17 179.2(4)
C18 C17 O6 C16 -117.0(7)
N4 C20 O7 C19 -58.5(5)
N3 C19 O7 C20 59.4(5)
