#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/04/2230470.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_2230470
loop_
_publ_author_name
'Fun, Hoong-Kun'
'Quah, Ching Kheng'
'Huang, Chengmei'
'Yu, Haitao'
_publ_section_title
;
 Methyl
 4'-benzyl-2,2'-dimethyl-1,3-dioxo-2,3-dihydro-1H,4'H-spiro[isoquinoline-4,5'-oxazole]-4'-carboxylate
;
_journal_coeditor_code           RZ2598
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1517
_journal_page_last               o1518
_journal_paper_doi               10.1107/S160053681101899X
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          'C22 H20 N2 O5'
_chemical_formula_moiety         'C22 H20 N2 O5'
_chemical_formula_sum            'C22 H20 N2 O5'
_chemical_formula_weight         392.40
_chemical_name_systematic
'Methyl 4'-benzyl-2,2'-dimethyl-1,3-dioxo-2,3-dihydro-1H,4'H-spiro[isoquinoline-4,5'-oxazole]-4'-carboxylate'
_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                100.638(2)
_cell_angle_beta                 106.347(2)
_cell_angle_gamma                109.383(2)
_cell_formula_units_Z            2
_cell_length_a                   8.6834(7)
_cell_length_b                   11.1683(9)
_cell_length_c                   11.3085(9)
_cell_measurement_reflns_used    9462
_cell_measurement_temperature    100
_cell_measurement_theta_max      37.52
_cell_measurement_theta_min      2.36
_cell_volume                     944.72(13)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type
;
Bruker SMART APEXII DUO CCD area-detector
;
_diffrn_measurement_method       'φ and ω'
_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  0.0212
_diffrn_reflns_av_sigmaI/netI    0.0196
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            32434
_diffrn_reflns_theta_full        35.00
_diffrn_reflns_theta_max         35.00
_diffrn_reflns_theta_min         2.36
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.099
_exptl_absorpt_correction_T_max  0.9768
_exptl_absorpt_correction_T_min  0.9366
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2009)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             412
_exptl_crystal_size_max          0.571
_exptl_crystal_size_mid          0.321
_exptl_crystal_size_min          0.238
_refine_diff_density_max         0.524
_refine_diff_density_min         -0.284
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         8179
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0365
_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)+(0.0618P)²+0.1885P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1048
_refine_ls_wR_factor_ref         0.1092
_reflns_number_gt                7354
_reflns_number_total             8179
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            rz2598.cif
_cod_data_source_block           I
_cod_database_code               2230470
_cod_database_fobs_code          2230470
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
O O1 0.42744(6) 0.99506(5) 0.62495(5) 0.01754(9) Uani d . 1 1 . .
O O2 1.02131(7) 1.14156(6) 0.79359(6) 0.02414(11) Uani d . 1 1 . .
O O3 0.38562(6) 0.75687(5) 0.48448(4) 0.01382(8) Uani d . 1 1 . .
O O4 0.79722(6) 0.82611(5) 0.84267(5) 0.01722(9) Uani d . 1 1 . .
O O5 0.66059(8) 0.60673(6) 0.73207(5) 0.02126(10) Uani d . 1 1 . .
N N1 0.72403(7) 1.06714(5) 0.71929(5) 0.01359(9) Uani d . 1 1 . .
N N2 0.34962(7) 0.62897(5) 0.61741(5) 0.01486(9) Uani d . 1 1 . .
C C1 0.55724(8) 0.97088(6) 0.64348(6) 0.01269(10) Uani d . 1 1 . .
C C2 0.87944(8) 1.05358(6) 0.72190(6) 0.01481(10) Uani d . 1 1 . .
C C3 0.86167(8) 0.93183(6) 0.63044(6) 0.01287(10) Uani d . 1 1 . .
C C4 1.01135(8) 0.92673(7) 0.61052(6) 0.01605(11) Uani d . 1 1 . .
H H4A 1.1205 0.9972 0.6568 0.019 Uiso calc R 1 1 . .
C C5 0.99607(9) 0.81563(7) 0.52111(7) 0.01776(11) Uani d . 1 1 . .
H H5A 1.0950 0.8117 0.5070 0.021 Uiso calc R 1 1 . .
C C6 0.83222(9) 0.71001(7) 0.45264(7) 0.01777(11) Uani d . 1 1 . .
H H6A 0.8221 0.6365 0.3918 0.021 Uiso calc R 1 1 . .
C C7 0.68345(8) 0.71352(6) 0.47458(6) 0.01523(10) Uani d . 1 1 . .
H H7A 0.5750 0.6419 0.4299 0.018 Uiso calc R 1 1 . .
C C8 0.69821(7) 0.82499(6) 0.56378(5) 0.01185(9) Uani d . 1 1 . .
C C9 0.54340(7) 0.82960(6) 0.59671(5) 0.01139(9) Uani d . 1 1 . .
C C10 0.50493(7) 0.75045(6) 0.69900(5) 0.01179(9) Uani d . 1 1 . .
C C11 0.46381(8) 0.82409(6) 0.80912(6) 0.01338(10) Uani d . 1 1 . .
H H11A 0.5604 0.9106 0.8561 0.016 Uiso calc R 1 1 . .
H H11B 0.3589 0.8385 0.7715 0.016 Uiso calc R 1 1 . .
C C12 0.43613(8) 0.74497(6) 0.90251(6) 0.01339(10) Uani d . 1 1 . .
C C13 0.27481(9) 0.64000(7) 0.87237(7) 0.02070(13) Uani d . 1 1 . .
H H13A 0.1812 0.6222 0.7971 0.025 Uiso calc R 1 1 . .
C C14 0.25276(12) 0.56155(8) 0.95414(8) 0.02710(16) Uani d . 1 1 . .
H H14A 0.1448 0.4916 0.9328 0.033 Uiso calc R 1 1 . .
C C15 0.39115(13) 0.58721(8) 1.06747(8) 0.02569(15) Uani d . 1 1 . .
H H15A 0.3768 0.5337 1.1210 0.031 Uiso calc R 1 1 . .
C C16 0.55074(11) 0.69343(9) 1.09983(7) 0.02314(14) Uani d . 1 1 . .
H H16A 0.6432 0.7124 1.1762 0.028 Uiso calc R 1 1 . .
C C17 0.57309(9) 0.77188(7) 1.01826(6) 0.01805(11) Uani d . 1 1 . .
H H17A 0.6805 0.8431 1.0411 0.022 Uiso calc R 1 1 . .
C C18 0.29331(8) 0.64261(6) 0.50621(6) 0.01369(10) Uani d . 1 1 . .
C C19 0.13538(8) 0.54771(7) 0.39220(6) 0.01767(11) Uani d . 1 1 . .
H H19A 0.0703 0.4749 0.4165 0.027 Uiso calc R 1 1 . .
H H19B 0.1709 0.5142 0.3247 0.027 Uiso calc R 1 1 . .
H H19C 0.0627 0.5927 0.3616 0.027 Uiso calc R 1 1 . .
C C20 0.65977(8) 0.71589(6) 0.75831(6) 0.01428(10) Uani d . 1 1 . .
C C21 0.95690(10) 0.80855(10) 0.89813(8) 0.02757(16) Uani d . 1 1 . .
H H21A 1.0476 0.8923 0.9566 0.041 Uiso calc R 1 1 . .
H H21B 0.9932 0.7771 0.8302 0.041 Uiso calc R 1 1 . .
H H21C 0.9360 0.7446 0.9443 0.041 Uiso calc R 1 1 . .
C C22 0.73534(9) 1.19379(7) 0.79492(6) 0.01796(11) Uani d . 1 1 . .
H H22A 0.6594 1.2240 0.7407 0.027 Uiso calc R 1 1 . .
H H22B 0.8542 1.2593 0.8272 0.027 Uiso calc R 1 1 . .
H H22C 0.6998 1.1809 0.8663 0.027 Uiso calc R 1 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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C18 O3 C9 . . 106.97(5) ?
C20 O4 C21 . . 115.40(6) ?
C1 N1 C2 . . 124.19(5) ?
C1 N1 C22 . . 116.77(5) ?
C2 N1 C22 . . 118.93(5) ?
C18 N2 C10 . . 107.79(5) ?
O1 C1 N1 . . 122.07(6) ?
O1 C1 C9 . . 121.60(5) ?
N1 C1 C9 . . 116.00(5) ?
O2 C2 N1 . . 120.27(6) ?
O2 C2 C3 . . 122.69(6) ?
N1 C2 C3 . . 116.99(5) ?
C8 C3 C4 . . 120.54(6) ?
C8 C3 C2 . . 120.73(5) ?
C4 C3 C2 . . 118.72(5) ?
C5 C4 C3 . . 119.56(6) ?
C5 C4 H4A . . 120.2 ?
C3 C4 H4A . . 120.2 ?
C4 C5 C6 . . 119.90(6) ?
C4 C5 H5A . . 120.0 ?
C6 C5 H5A . . 120.0 ?
C7 C6 C5 . . 120.63(6) ?
C7 C6 H6A . . 119.7 ?
C5 C6 H6A . . 119.7 ?
C8 C7 C6 . . 119.60(6) ?
C8 C7 H7A . . 120.2 ?
C6 C7 H7A . . 120.2 ?
C7 C8 C3 . . 119.75(5) ?
C7 C8 C9 . . 121.41(5) ?
C3 C8 C9 . . 118.72(5) ?
O3 C9 C8 . . 109.49(5) ?
O3 C9 C1 . . 107.97(5) ?
C8 C9 C1 . . 112.93(5) ?
O3 C9 C10 . . 102.22(4) ?
C8 C9 C10 . . 113.35(5) ?
C1 C9 C10 . . 110.23(4) ?
N2 C10 C20 . . 110.16(5) ?
N2 C10 C11 . . 109.10(5) ?
C20 C10 C11 . . 109.43(5) ?
N2 C10 C9 . . 102.88(4) ?
C20 C10 C9 . . 109.71(4) ?
C11 C10 C9 . . 115.34(5) ?
C12 C11 C10 . . 111.59(5) ?
C12 C11 H11A . . 109.3 ?
C10 C11 H11A . . 109.3 ?
C12 C11 H11B . . 109.3 ?
C10 C11 H11B . . 109.3 ?
H11A C11 H11B . . 108.0 ?
C13 C12 C17 . . 118.43(6) ?
C13 C12 C11 . . 120.52(6) ?
C17 C12 C11 . . 121.01(6) ?
C12 C13 C14 . . 120.55(7) ?
C12 C13 H13A . . 119.7 ?
C14 C13 H13A . . 119.7 ?
C15 C14 C13 . . 120.51(7) ?
C15 C14 H14A . . 119.7 ?
C13 C14 H14A . . 119.7 ?
C16 C15 C14 . . 119.32(7) ?
C16 C15 H15A . . 120.3 ?
C14 C15 H15A . . 120.3 ?
C15 C16 C17 . . 120.25(7) ?
C15 C16 H16A . . 119.9 ?
C17 C16 H16A . . 119.9 ?
C16 C17 C12 . . 120.90(7) ?
C16 C17 H17A . . 119.6 ?
C12 C17 H17A . . 119.6 ?
N2 C18 O3 . . 118.47(5) ?
N2 C18 C19 . . 127.74(6) ?
O3 C18 C19 . . 113.79(5) ?
C18 C19 H19A . . 109.5 ?
C18 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
C18 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
O5 C20 O4 . . 124.54(6) ?
O5 C20 C10 . . 125.43(6) ?
O4 C20 C10 . . 110.02(5) ?
O4 C21 H21A . . 109.5 ?
O4 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
O4 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
N1 C22 H22A . . 109.5 ?
N1 C22 H22B . . 109.5 ?
H22A C22 H22B . . 109.5 ?
N1 C22 H22C . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
O1 C1 . 1.2153(7) ?
O2 C2 . 1.2168(8) ?
O3 C18 . 1.3707(8) ?
O3 C9 . 1.4316(7) ?
O4 C20 . 1.3417(8) ?
O4 C21 . 1.4459(9) ?
O5 C20 . 1.2033(8) ?
N1 C1 . 1.3841(8) ?
N1 C2 . 1.3999(8) ?
N1 C22 . 1.4682(8) ?
N2 C18 . 1.2719(8) ?
N2 C10 . 1.4607(8) ?
C1 C9 . 1.5212(8) ?
C2 C3 . 1.4813(9) ?
C3 C8 . 1.3958(8) ?
C3 C4 . 1.3972(9) ?
C4 C5 . 1.3899(10) ?
C4 H4A . 0.9300 ?
C5 C6 . 1.3943(10) ?
C5 H5A . 0.9300 ?
C6 C7 . 1.3936(9) ?
C6 H6A . 0.9300 ?
C7 C8 . 1.3934(9) ?
C7 H7A . 0.9300 ?
C8 C9 . 1.5064(8) ?
C9 C10 . 1.6217(8) ?
C10 C20 . 1.5294(8) ?
C10 C11 . 1.5562(8) ?
C11 C12 . 1.5167(9) ?
C11 H11A . 0.9700 ?
C11 H11B . 0.9700 ?
C12 C13 . 1.3952(9) ?
C12 C17 . 1.3998(9) ?
C13 C14 . 1.3954(11) ?
C13 H13A . 0.9300 ?
C14 C15 . 1.3920(13) ?
C14 H14A . 0.9300 ?
C15 C16 . 1.3873(12) ?
C15 H15A . 0.9300 ?
C16 C17 . 1.3937(10) ?
C16 H16A . 0.9300 ?
C17 H17A . 0.9300 ?
C18 C19 . 1.4839(9) ?
C19 H19A . 0.9600 ?
C19 H19B . 0.9600 ?
C19 H19C . 0.9600 ?
C21 H21A . 0.9600 ?
C21 H21B . 0.9600 ?
C21 H21C . 0.9600 ?
C22 H22A . 0.9600 ?
C22 H22B . 0.9600 ?
C22 H22C . 0.9600 ?
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
C15 H15A O5 2_667 0.93 2.50 3.4311(11) 179 yes
C19 H19B O5 2_666 0.96 2.43 3.2594(11) 145 yes
C22 H22A O3 2_676 0.96 2.53 3.2479(8) 132 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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C2 N1 C1 O1 . . . . -165.85(6) ?
C22 N1 C1 O1 . . . . 10.31(9) ?
C2 N1 C1 C9 . . . . 20.58(8) ?
C22 N1 C1 C9 . . . . -163.26(5) ?
C1 N1 C2 O2 . . . . -178.23(6) ?
C22 N1 C2 O2 . . . . 5.68(9) ?
C1 N1 C2 C3 . . . . 4.38(9) ?
C22 N1 C2 C3 . . . . -171.70(5) ?
O2 C2 C3 C8 . . . . 170.61(6) ?
N1 C2 C3 C8 . . . . -12.07(9) ?
O2 C2 C3 C4 . . . . -10.41(10) ?
N1 C2 C3 C4 . . . . 166.91(6) ?
C8 C3 C4 C5 . . . . 1.63(9) ?
C2 C3 C4 C5 . . . . -177.35(6) ?
C3 C4 C5 C6 . . . . -0.36(10) ?
C4 C5 C6 C7 . . . . -1.16(10) ?
C5 C6 C7 C8 . . . . 1.40(10) ?
C6 C7 C8 C3 . . . . -0.13(9) ?
C6 C7 C8 C9 . . . . -176.13(6) ?
C4 C3 C8 C7 . . . . -1.38(9) ?
C2 C3 C8 C7 . . . . 177.58(6) ?
C4 C3 C8 C9 . . . . 174.72(5) ?
C2 C3 C8 C9 . . . . -6.31(8) ?
C18 O3 C9 C8 . . . . 109.09(5) ?
C18 O3 C9 C1 . . . . -127.60(5) ?
C18 O3 C9 C10 . . . . -11.36(5) ?
C7 C8 C9 O3 . . . . -33.67(7) ?
C3 C8 C9 O3 . . . . 150.29(5) ?
C7 C8 C9 C1 . . . . -154.01(6) ?
C3 C8 C9 C1 . . . . 29.96(7) ?
C7 C8 C9 C10 . . . . 79.73(7) ?
C3 C8 C9 C10 . . . . -96.30(6) ?
O1 C1 C9 O3 . . . . 28.45(8) ?
N1 C1 C9 O3 . . . . -157.94(5) ?
O1 C1 C9 C8 . . . . 149.65(6) ?
N1 C1 C9 C8 . . . . -36.74(7) ?
O1 C1 C9 C10 . . . . -82.44(7) ?
N1 C1 C9 C10 . . . . 91.17(6) ?
C18 N2 C10 C20 . . . . -126.15(5) ?
C18 N2 C10 C11 . . . . 113.70(6) ?
C18 N2 C10 C9 . . . . -9.25(6) ?
O3 C9 C10 N2 . . . . 12.51(5) ?
C8 C9 C10 N2 . . . . -105.22(5) ?
C1 C9 C10 N2 . . . . 127.10(5) ?
O3 C9 C10 C20 . . . . 129.73(5) ?
C8 C9 C10 C20 . . . . 12.00(6) ?
C1 C9 C10 C20 . . . . -115.68(5) ?
O3 C9 C10 C11 . . . . -106.16(5) ?
C8 C9 C10 C11 . . . . 136.11(5) ?
C1 C9 C10 C11 . . . . 8.43(7) ?
N2 C10 C11 C12 . . . . 66.89(6) ?
C20 C10 C11 C12 . . . . -53.70(6) ?
C9 C10 C11 C12 . . . . -177.96(5) ?
C10 C11 C12 C13 . . . . -80.98(7) ?
C10 C11 C12 C17 . . . . 96.54(7) ?
C17 C12 C13 C14 . . . . -1.85(10) ?
C11 C12 C13 C14 . . . . 175.73(6) ?
C12 C13 C14 C15 . . . . 0.33(12) ?
C13 C14 C15 C16 . . . . 1.25(12) ?
C14 C15 C16 C17 . . . . -1.28(11) ?
C15 C16 C17 C12 . . . . -0.26(11) ?
C13 C12 C17 C16 . . . . 1.82(10) ?
C11 C12 C17 C16 . . . . -175.74(6) ?
C10 N2 C18 O3 . . . . 2.44(7) ?
C10 N2 C18 C19 . . . . -177.79(6) ?
C9 O3 C18 N2 . . . . 6.70(7) ?
C9 O3 C18 C19 . . . . -173.11(5) ?
C21 O4 C20 O5 . . . . 3.34(9) ?
C21 O4 C20 C10 . . . . -175.41(5) ?
N2 C10 C20 O5 . . . . 7.11(8) ?
C11 C10 C20 O5 . . . . 127.05(6) ?
C9 C10 C20 O5 . . . . -105.46(7) ?
N2 C10 C20 O4 . . . . -174.16(5) ?
C11 C10 C20 O4 . . . . -54.21(6) ?
C9 C10 C20 O4 . . . . 73.27(6) ?
