#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:45:54 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180154 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/50/7105030.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_7105030
loop_
_publ_author_name
'Qian, Zi-Qing'
'Zhou, Feng'
'Du, Tai-Ping'
'Wang, Bo-Lun'
'Ding, Miao'
'Zhao, Xiao-Li'
'Zhou, Jian'
_publ_section_title
;
 Asymmetric construction of quaternary stereocenters by direct
 organocatalytic amination of 3-substituted oxindoles.
;
_journal_issue                   44
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              6753
_journal_page_last               6755
_journal_paper_doi               10.1039/b915257a
_journal_year                    2009
_chemical_formula_sum            'C23 H26 Br N3 O5'
_chemical_formula_weight         504.38
_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                115.6260(10)
_cell_angle_beta                 92.7780(10)
_cell_angle_gamma                107.0370(10)
_cell_formula_units_Z            2
_cell_length_a                   9.0411(3)
_cell_length_b                   12.0586(4)
_cell_length_c                   12.8583(4)
_cell_measurement_temperature    296(2)
_cell_volume                     1183.27(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0198
_diffrn_reflns_av_sigmaI/netI    0.0198
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13845
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    1.775
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.670721
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             520
_exptl_crystal_size_max          0.523
_exptl_crystal_size_mid          0.282
_exptl_crystal_size_min          0.164
_refine_diff_density_max         0.639
_refine_diff_density_min         -0.681
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4139
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0404
_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)+(0.0491P)²+1.0162P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1019
_refine_ls_wR_factor_ref         0.1107
_reflns_number_gt                3348
_reflns_number_total             4139
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b915257a.txt
_cod_data_source_block           z
_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_H-M      P-1
_cod_database_code               7105030
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
Br1 Br 0.57585(5) 1.13022(4) 0.17648(4) 0.08609(19) Uani 1 1 d . . .
O1 O 0.1115(2) 0.88373(17) 0.50466(16) 0.0436(4) Uani 1 1 d . . .
O2 O -0.2045(2) 0.47629(18) 0.42930(17) 0.0464(4) Uani 1 1 d . . .
O3 O -0.2406(2) 0.63975(18) 0.40090(17) 0.0440(4) Uani 1 1 d . . .
O4 O -0.0889(3) 0.34753(19) 0.17278(18) 0.0559(5) Uani 1 1 d . . .
O5 O 0.0777(2) 0.31406(17) 0.28413(17) 0.0482(5) Uani 1 1 d . . .
N1 N -0.0261(2) 0.58984(19) 0.35959(18) 0.0365(5) Uani 1 1 d . . .
N2 N 0.0619(2) 0.51055(19) 0.35162(19) 0.0379(5) Uani 1 1 d . . .
H2B H 0.1478 0.5388 0.4016 0.046 Uiso 1 1 calc R . .
N3 N -0.0599(2) 0.86659(19) 0.35647(18) 0.0389(5) Uani 1 1 d . . .
H3A H -0.0650 0.9441 0.3906 0.047 Uiso 1 1 calc R . .
C1 C 0.2264(3) 0.7982(3) 0.1453(2) 0.0460(6) Uani 1 1 d . . .
H1A H 0.1390 0.7312 0.0891 0.055 Uiso 1 1 calc R . .
C2 C 0.3171(4) 0.8962(3) 0.1219(3) 0.0553(7) Uani 1 1 d . . .
H2A H 0.2904 0.8955 0.0508 0.066 Uiso 1 1 calc R . .
C3 C 0.4468(3) 0.9943(3) 0.2049(3) 0.0517(7) Uani 1 1 d . . .
C4 C 0.4880(3) 0.9973(3) 0.3101(3) 0.0540(7) Uani 1 1 d . . .
H4A H 0.5767 1.0636 0.3654 0.065 Uiso 1 1 calc R . .
C5 C 0.3956(3) 0.9001(3) 0.3324(3) 0.0505(7) Uani 1 1 d . . .
H5A H 0.4222 0.9025 0.4043 0.061 Uiso 1 1 calc R . .
C6 C 0.2644(3) 0.7988(2) 0.2512(2) 0.0377(6) Uani 1 1 d . . .
C7 C 0.1798(3) 0.6888(2) 0.2775(2) 0.0398(6) Uani 1 1 d . . .
H7A H 0.2482 0.6944 0.3414 0.048 Uiso 1 1 calc R . .
H7B H 0.1657 0.6063 0.2087 0.048 Uiso 1 1 calc R . .
C8 C 0.0175(3) 0.6837(2) 0.3111(2) 0.0323(5) Uani 1 1 d . . .
C9 C 0.0302(3) 0.8237(2) 0.4057(2) 0.0344(5) Uani 1 1 d . . .
C10 C -0.1446(3) 0.7703(2) 0.2431(2) 0.0367(5) Uani 1 1 d . . .
C11 C -0.1054(3) 0.6590(2) 0.2122(2) 0.0347(5) Uani 1 1 d . . .
C12 C -0.1747(3) 0.5509(3) 0.1038(2) 0.0444(6) Uani 1 1 d . . .
H12A H -0.1489 0.4757 0.0819 0.053 Uiso 1 1 calc R . .
C13 C -0.2834(4) 0.5564(3) 0.0282(3) 0.0541(7) Uani 1 1 d . . .
H13A H -0.3303 0.4845 -0.0456 0.065 Uiso 1 1 calc R . .
C14 C -0.3228(3) 0.6677(3) 0.0611(3) 0.0560(8) Uani 1 1 d . . .
H14A H -0.3971 0.6691 0.0094 0.067 Uiso 1 1 calc R . .
C15 C -0.2540(3) 0.7771(3) 0.1693(3) 0.0485(7) Uani 1 1 d . . .
H15A H -0.2802 0.8521 0.1916 0.058 Uiso 1 1 calc R . .
C16 C 0.0054(3) 0.3846(2) 0.2600(2) 0.0407(6) Uani 1 1 d . . .
C17 C 0.0425(4) 0.1788(2) 0.1921(3) 0.0487(7) Uani 1 1 d U . .
H17A H -0.0674 0.1427 0.1500 0.058 Uiso 1 1 calc R . .
C18 C 0.1493(6) 0.1784(4) 0.1083(4) 0.0939(14) Uani 1 1 d U . .
H18A H 0.1303 0.2279 0.0707 0.141 Uiso 1 1 calc R . .
H18B H 0.1299 0.0897 0.0499 0.141 Uiso 1 1 calc R . .
H18C H 0.2571 0.2174 0.1502 0.141 Uiso 1 1 calc R . .
C19 C 0.0634(7) 0.1044(4) 0.2550(4) 0.0946(14) Uani 1 1 d U . .
H19A H -0.0089 0.1083 0.3077 0.142 Uiso 1 1 calc R . .
H19B H 0.1698 0.1424 0.2992 0.142 Uiso 1 1 calc R . .
H19C H 0.0428 0.0146 0.1989 0.142 Uiso 1 1 calc R . .
C20 C -0.1631(3) 0.5609(2) 0.3989(2) 0.0370(5) Uani 1 1 d . . .
C21 C -0.4012(3) 0.6066(3) 0.4210(3) 0.0599(8) Uani 1 1 d U . .
H21A H -0.4080 0.5707 0.4767 0.072 Uiso 1 1 calc R . .
C22 C -0.4328(5) 0.7313(5) 0.4734(4) 0.1071(17) Uani 1 1 d U . .
H22C H -0.5379 0.7150 0.4886 0.161 Uiso 1 1 calc R . .
H22D H -0.4229 0.7676 0.4197 0.161 Uiso 1 1 calc R . .
H22A H -0.3580 0.7921 0.5460 0.161 Uiso 1 1 calc R . .
C23 C -0.5086(5) 0.5089(5) 0.3092(5) 0.134(2) Uani 1 1 d U . .
H23C H -0.4830 0.4303 0.2794 0.202 Uiso 1 1 calc R . .
H23D H -0.4982 0.5427 0.2536 0.202 Uiso 1 1 calc R . .
H23A H -0.6153 0.4894 0.3210 0.202 Uiso 1 1 calc R . .
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'
Br Br -0.2901 2.4595 '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
C20 O3 C21 116.9(2) . . ?
C16 O5 C17 116.4(2) . . ?
C20 N1 N2 114.95(19) . . ?
C20 N1 C8 124.07(19) . . ?
N2 N1 C8 120.35(19) . . ?
C16 N2 N1 117.0(2) . . ?
C16 N2 H2B 121.5 . . ?
N1 N2 H2B 121.5 . . ?
C9 N3 C10 112.2(2) . . ?
C9 N3 H3A 123.9 . . ?
C10 N3 H3A 123.9 . . ?
C6 C1 C2 120.8(3) . . ?
C6 C1 H1A 119.6 . . ?
C2 C1 H1A 119.6 . . ?
C3 C2 C1 119.3(3) . . ?
C3 C2 H2A 120.4 . . ?
C1 C2 H2A 120.4 . . ?
C4 C3 C2 121.3(3) . . ?
C4 C3 Br1 117.8(2) . . ?
C2 C3 Br1 120.9(2) . . ?
C3 C4 C5 118.7(3) . . ?
C3 C4 H4A 120.7 . . ?
C5 C4 H4A 120.7 . . ?
C4 C5 C6 122.1(3) . . ?
C4 C5 H5A 119.0 . . ?
C6 C5 H5A 119.0 . . ?
C1 C6 C5 117.8(2) . . ?
C1 C6 C7 123.3(2) . . ?
C5 C6 C7 118.6(2) . . ?
C6 C7 C8 117.2(2) . . ?
C6 C7 H7A 108.0 . . ?
C8 C7 H7A 108.0 . . ?
C6 C7 H7B 108.0 . . ?
C8 C7 H7B 108.0 . . ?
H7A C7 H7B 107.2 . . ?
N1 C8 C11 115.17(19) . . ?
N1 C8 C7 107.94(19) . . ?
C11 C8 C7 113.0(2) . . ?
N1 C8 C9 110.28(19) . . ?
C11 C8 C9 101.25(18) . . ?
C7 C8 C9 109.00(19) . . ?
O1 C9 N3 126.8(2) . . ?
O1 C9 C8 125.6(2) . . ?
N3 C9 C8 107.6(2) . . ?
C15 C10 C11 122.3(2) . . ?
C15 C10 N3 128.2(2) . . ?
C11 C10 N3 109.6(2) . . ?
C12 C11 C10 119.8(2) . . ?
C12 C11 C8 131.0(2) . . ?
C10 C11 C8 109.1(2) . . ?
C11 C12 C13 118.7(3) . . ?
C11 C12 H12A 120.6 . . ?
C13 C12 H12A 120.6 . . ?
C14 C13 C12 120.7(3) . . ?
C14 C13 H13A 119.7 . . ?
C12 C13 H13A 119.7 . . ?
C15 C14 C13 121.2(3) . . ?
C15 C14 H14A 119.4 . . ?
C13 C14 H14A 119.4 . . ?
C10 C15 C14 117.2(3) . . ?
C10 C15 H15A 121.4 . . ?
C14 C15 H15A 121.4 . . ?
O4 C16 O5 126.7(2) . . ?
O4 C16 N2 125.1(2) . . ?
O5 C16 N2 108.1(2) . . ?
O5 C17 C18 109.1(2) . . ?
O5 C17 C19 105.6(3) . . ?
C18 C17 C19 113.5(3) . . ?
O5 C17 H17A 109.5 . . ?
C18 C17 H17A 109.5 . . ?
C19 C17 H17A 109.5 . . ?
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 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O2 C20 O3 125.6(2) . . ?
O2 C20 N1 123.9(2) . . ?
O3 C20 N1 110.5(2) . . ?
O3 C21 C23 108.9(3) . . ?
O3 C21 C22 106.0(3) . . ?
C23 C21 C22 113.0(4) . . ?
O3 C21 H21A 109.6 . . ?
C23 C21 H21A 109.6 . . ?
C22 C21 H21A 109.6 . . ?
C21 C22 H22C 109.5 . . ?
C21 C22 H22D 109.5 . . ?
H22C C22 H22D 109.5 . . ?
C21 C22 H22A 109.5 . . ?
H22C C22 H22A 109.5 . . ?
H22D C22 H22A 109.5 . . ?
C21 C23 H23C 109.5 . . ?
C21 C23 H23D 109.5 . . ?
H23C C23 H23D 109.5 . . ?
C21 C23 H23A 109.5 . . ?
H23C C23 H23A 109.5 . . ?
H23D C23 H23A 109.5 . . ?
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
Br1 C3 1.902(3) . ?
O1 C9 1.218(3) . ?
O2 C20 1.212(3) . ?
O3 C20 1.329(3) . ?
O3 C21 1.457(3) . ?
O4 C16 1.198(3) . ?
O5 C16 1.335(3) . ?
O5 C17 1.467(3) . ?
N1 C20 1.368(3) . ?
N1 N2 1.388(3) . ?
N1 C8 1.484(3) . ?
N2 C16 1.376(3) . ?
N2 H2B 0.8600 . ?
N3 C9 1.346(3) . ?
N3 C10 1.402(3) . ?
N3 H3A 0.8600 . ?
C1 C6 1.384(4) . ?
C1 C2 1.387(4) . ?
C1 H1A 0.9300 . ?
C2 C3 1.374(4) . ?
C2 H2A 0.9300 . ?
C3 C4 1.368(5) . ?
C4 C5 1.377(4) . ?
C4 H4A 0.9300 . ?
C5 C6 1.385(4) . ?
C5 H5A 0.9300 . ?
C6 C7 1.509(3) . ?
C7 C8 1.541(3) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C11 1.510(3) . ?
C8 C9 1.562(3) . ?
C10 C15 1.381(4) . ?
C10 C11 1.383(3) . ?
C11 C12 1.379(4) . ?
C12 C13 1.384(4) . ?
C12 H12A 0.9300 . ?
C13 C14 1.383(5) . ?
C13 H13A 0.9300 . ?
C14 C15 1.383(4) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C17 C18 1.480(5) . ?
C17 C19 1.485(5) . ?
C17 H17A 0.9800 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C21 C23 1.458(6) . ?
C21 C22 1.480(5) . ?
C21 H21A 0.9800 . ?
C22 H22C 0.9600 . ?
C22 H22D 0.9600 . ?
C22 H22A 0.9600 . ?
C23 H23C 0.9600 . ?
C23 H23D 0.9600 . ?
C23 H23A 0.9600 . ?
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
N2 H2B O2 0.86 2.30 2.961(3) 133.2 2_566
N3 H3A O1 0.86 2.11 2.954(3) 166.8 2_576
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
C20 N1 N2 C16 74.0(3) . . . . ?
C8 N1 N2 C16 -97.3(3) . . . . ?
C6 C1 C2 C3 0.5(4) . . . . ?
C1 C2 C3 C4 -0.1(5) . . . . ?
C1 C2 C3 Br1 179.5(2) . . . . ?
C2 C3 C4 C5 -0.7(5) . . . . ?
Br1 C3 C4 C5 179.7(2) . . . . ?
C3 C4 C5 C6 1.0(5) . . . . ?
C2 C1 C6 C5 -0.1(4) . . . . ?
C2 C1 C6 C7 -174.2(3) . . . . ?
C4 C5 C6 C1 -0.6(4) . . . . ?
C4 C5 C6 C7 173.7(3) . . . . ?
C1 C6 C7 C8 -78.5(3) . . . . ?
C5 C6 C7 C8 107.6(3) . . . . ?
C20 N1 C8 C11 -52.9(3) . . . . ?
N2 N1 C8 C11 117.5(2) . . . . ?
C20 N1 C8 C7 179.8(2) . . . . ?
N2 N1 C8 C7 -9.7(3) . . . . ?
C20 N1 C8 C9 60.9(3) . . . . ?
N2 N1 C8 C9 -128.7(2) . . . . ?
C6 C7 C8 N1 -167.0(2) . . . . ?
C6 C7 C8 C11 64.5(3) . . . . ?
C6 C7 C8 C9 -47.2(3) . . . . ?
C10 N3 C9 O1 -177.1(2) . . . . ?
C10 N3 C9 C8 5.1(3) . . . . ?
N1 C8 C9 O1 54.2(3) . . . . ?
C11 C8 C9 O1 176.6(2) . . . . ?
C7 C8 C9 O1 -64.1(3) . . . . ?
N1 C8 C9 N3 -127.9(2) . . . . ?
C11 C8 C9 N3 -5.5(2) . . . . ?
C7 C8 C9 N3 113.7(2) . . . . ?
C9 N3 C10 C15 176.4(3) . . . . ?
C9 N3 C10 C11 -2.5(3) . . . . ?
C15 C10 C11 C12 1.1(4) . . . . ?
N3 C10 C11 C12 -180.0(2) . . . . ?
C15 C10 C11 C8 179.6(2) . . . . ?
N3 C10 C11 C8 -1.5(3) . . . . ?
N1 C8 C11 C12 -58.6(3) . . . . ?
C7 C8 C11 C12 66.0(3) . . . . ?
C9 C8 C11 C12 -177.6(2) . . . . ?
N1 C8 C11 C10 123.1(2) . . . . ?
C7 C8 C11 C10 -112.3(2) . . . . ?
C9 C8 C11 C10 4.2(2) . . . . ?
C10 C11 C12 C13 -0.4(4) . . . . ?
C8 C11 C12 C13 -178.5(3) . . . . ?
C11 C12 C13 C14 -0.6(4) . . . . ?
C12 C13 C14 C15 0.8(5) . . . . ?
C11 C10 C15 C14 -0.8(4) . . . . ?
N3 C10 C15 C14 -179.5(3) . . . . ?
C13 C14 C15 C10 -0.1(4) . . . . ?
C17 O5 C16 O4 2.6(4) . . . . ?
C17 O5 C16 N2 -175.3(2) . . . . ?
N1 N2 C16 O4 18.7(4) . . . . ?
N1 N2 C16 O5 -163.4(2) . . . . ?
C16 O5 C17 C18 85.9(3) . . . . ?
C16 O5 C17 C19 -151.8(3) . . . . ?
C21 O3 C20 O2 -11.7(4) . . . . ?
C21 O3 C20 N1 169.6(2) . . . . ?
N2 N1 C20 O2 2.7(4) . . . . ?
C8 N1 C20 O2 173.6(2) . . . . ?
N2 N1 C20 O3 -178.5(2) . . . . ?
C8 N1 C20 O3 -7.7(3) . . . . ?
C20 O3 C21 C23 -83.9(4) . . . . ?
C20 O3 C21 C22 154.3(3) . . . . ?
