#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/11/4021198.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_4021198
loop_
_publ_author_name
'Sengodagounder Muthusamy'
'Chidambaram Gunanathan'
'Munirathinam Nethaji'
_publ_section_title
;
 Multicomponent Reactions of Diazoamides:
 Diastereoselective Synthesis of Mono- and Bis-spirofurooxindoles
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5631
_journal_page_last               5637
_journal_paper_doi               10.1021/jo0493119
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C30 H23 N O6'
_chemical_formula_sum            'C30 H23 N O6'
_chemical_formula_weight         493.49
_chemical_name_common            spiro-furooxindole
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.172(9)
_cell_angle_beta                 97.689(10)
_cell_angle_gamma                107.210(9)
_cell_formula_units_Z            2
_cell_length_a                   9.589(6)
_cell_length_b                   11.098(7)
_cell_length_c                   12.723(8)
_cell_measurement_temperature    273(2)
_cell_volume                     1222.5(13)
_diffrn_ambient_temperature      273(2)
_exptl_crystal_density_diffrn    1.341
_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_database_code               4021198
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
O8 O 0.57866(13) 0.92894(10) 0.33003(9) 0.0415(3) Uani 1 1 d . . .
O12 O 0.51802(16) 1.16797(13) 0.29889(11) 0.0587(4) Uani 1 1 d . . .
O25 O 0.87269(19) 0.88533(17) 0.09241(13) 0.0730(5) Uani 1 1 d . . .
O26 O 0.72252(16) 0.98101(15) 0.02520(11) 0.0608(4) Uani 1 1 d . . .
O29 O 0.93367(17) 1.29455(13) 0.39492(13) 0.0677(4) Uani 1 1 d . . .
O30 O 1.01126(18) 1.18553(15) 0.25664(15) 0.0833(5) Uani 1 1 d . . .
N2 N 0.61917(17) 1.23500(14) 0.48691(12) 0.0467(4) Uani 1 1 d . . .
C1 C 0.59472(19) 1.16089(16) 0.37960(14) 0.0424(4) Uani 1 1 d . . .
C2A C 0.70898(19) 1.19578(17) 0.55911(14) 0.0438(4) Uani 1 1 d . . .
C3 C 0.7570(2) 1.2466(2) 0.67371(16) 0.0559(5) Uani 1 1 d . . .
C4 C 0.8388(2) 1.1870(2) 0.72717(18) 0.0645(6) Uani 1 1 d . . .
C5 C 0.8727(3) 1.0805(3) 0.66990(18) 0.0655(6) Uani 1 1 d . . .
C6 C 0.8267(2) 1.0318(2) 0.55399(16) 0.0547(5) Uani 1 1 d . . .
C6A C 0.74578(19) 1.09108(16) 0.49934(13) 0.0423(4) Uani 1 1 d . . .
C7 C 0.68117(18) 1.06196(14) 0.37797(13) 0.0387(4) Uani 1 1 d . . .
C9 C 0.57474(19) 0.88828(15) 0.21254(13) 0.0384(4) Uani 1 1 d . . .
C10 C 0.72746(18) 0.97329(15) 0.20592(13) 0.0376(3) Uani 1 1 d . . .
C11 C 0.78625(18) 1.07443(15) 0.29854(13) 0.0383(4) Uani 1 1 d . . .
C13 C 0.5482(3) 1.3321(3) 0.5215(2) 0.0686(6) Uani 1 1 d . . .
C14 C 0.52342(18) 0.73862(15) 0.16819(13) 0.0397(4) Uani 1 1 d . . .
C14A C 0.39412(19) 0.67207(16) 0.08066(14) 0.0440(4) Uani 1 1 d . . .
C15 C 0.3239(2) 0.7357(2) 0.01670(16) 0.0569(5) Uani 1 1 d . . .
C16 C 0.1967(3) 0.6668(2) -0.0645(2) 0.0723(6) Uani 1 1 d . . .
C17 C 0.1310(3) 0.5290(3) -0.0898(2) 0.0751(7) Uani 1 1 d . . .
C18 C 0.1941(3) 0.4627(2) -0.03498(19) 0.0656(6) Uani 1 1 d . . .
C18A C 0.3278(2) 0.53040(17) 0.05195(15) 0.0502(4) Uani 1 1 d . . .
C19 C 0.3929(2) 0.46261(18) 0.10902(18) 0.0569(5) Uani 1 1 d . . .
C19A C 0.5246(2) 0.52582(17) 0.19144(16) 0.0522(5) Uani 1 1 d . . .
C20 C 0.5913(3) 0.4543(2) 0.2481(2) 0.0666(6) Uani 1 1 d . . .
C21 C 0.7206(3) 0.5157(2) 0.3248(2) 0.0715(7) Uani 1 1 d . . .
C22 C 0.7947(3) 0.6543(2) 0.3502(2) 0.0620(5) Uani 1 1 d . . .
C23 C 0.7332(2) 0.72724(19) 0.30047(16) 0.0499(4) Uani 1 1 d . . .
C23A C 0.59411(19) 0.66718(16) 0.22005(14) 0.0428(4) Uani 1 1 d . . .
C24 C 0.78572(19) 0.94277(15) 0.10299(13) 0.0409(4) Uani 1 1 d . . .
C27 C 0.7665(4) 0.9532(4) -0.0809(2) 0.0755(7) Uani 1 1 d . . .
C28 C 0.9193(2) 1.19410(18) 0.32135(17) 0.0520(4) Uani 1 1 d . . .
C31 C 1.1443(16) 1.3041(11) 0.2904(17) 0.117(5) Uani 0.50 1 d P . .
C31A C 1.0578(9) 1.4112(6) 0.3918(7) 0.123(2) Uani 0.50 1 d P . .
H3 H 0.730(3) 1.318(2) 0.712(2) 0.077(7) Uiso 1 1 d . . .
H4 H 0.872(3) 1.218(2) 0.804(2) 0.076(7) Uiso 1 1 d . . .
H5 H 0.930(3) 1.038(3) 0.705(2) 0.095(9) Uiso 1 1 d . . .
H6 H 0.856(2) 0.961(2) 0.5131(18) 0.061(6) Uiso 1 1 d . . .
H9 H 0.5051(19) 0.9200(17) 0.1744(14) 0.036(4) Uiso 1 1 d . . .
H131 H 0.497(4) 1.350(3) 0.454(3) 0.118(11) Uiso 1 1 d . . .
H132 H 0.477(4) 1.305(3) 0.563(3) 0.118(11) Uiso 1 1 d . . .
H133 H 0.620(4) 1.412(4) 0.566(3) 0.140(14) Uiso 1 1 d . . .
H15 H 0.371(2) 0.830(2) 0.0279(18) 0.065(6) Uiso 1 1 d . . .
H16 H 0.145(3) 0.712(3) -0.109(2) 0.101(9) Uiso 1 1 d . . .
H17 H 0.039(3) 0.482(3) -0.150(2) 0.089(8) Uiso 1 1 d . . .
H18 H 0.156(3) 0.373(3) -0.048(2) 0.082(7) Uiso 1 1 d . . .
H19 H 0.349(3) 0.366(2) 0.0861(19) 0.072(6) Uiso 1 1 d . . .
H20 H 0.541(3) 0.353(3) 0.230(2) 0.087(7) Uiso 1 1 d . . .
H21 H 0.765(3) 0.467(3) 0.358(2) 0.093(8) Uiso 1 1 d . . .
H22 H 0.888(2) 0.701(2) 0.4009(18) 0.055(6) Uiso 1 1 d . . .
H23 H 0.784(2) 0.821(2) 0.3182(17) 0.059(6) Uiso 1 1 d . . .
H271 H 0.858(5) 1.025(4) -0.070(3) 0.136(13) Uiso 1 1 d . . .
H272 H 0.792(5) 0.873(4) -0.102(3) 0.155(15) Uiso 1 1 d . . .
H273 H 0.693(4) 0.954(4) -0.135(3) 0.131(12) Uiso 1 1 d . . .
H311 H 1.144(7) 1.304(5) 0.250(4) 0.031(17) Uiso 0.50 1 d P . .
H312 H 1.122(6) 1.358(5) 0.291(5) 0.061(19) Uiso 0.50 1 d P . .
H313 H 1.198(6) 1.286(6) 0.302(6) 0.05(2) Uiso 0.50 1 d P . .
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
O8 C7 1.434(2) . ?
O8 C9 1.444(2) . ?
O12 C1 1.214(2) . ?
O25 C24 1.193(2) . ?
O26 C24 1.313(2) . ?
O26 C27 1.456(3) . ?
O29 C28 1.225(2) . ?
O29 C31A 1.490(7) . ?
O30 C28 1.292(3) . ?
O30 C31 1.458(8) . ?
N2 C1 1.359(2) . ?
N2 C2A 1.408(2) . ?
N2 C13 1.450(3) . ?
C1 C7 1.557(2) . ?
C2A C3 1.386(3) . ?
C2A C6A 1.391(2) . ?
C3 C4 1.378(3) . ?
C4 C5 1.379(4) . ?
C5 C6 1.399(3) . ?
C6 C6A 1.379(3) . ?
C6A C7 1.501(2) . ?
C7 C11 1.521(2) . ?
C9 C10 1.515(2) . ?
C9 C14 1.517(2) . ?
C10 C11 1.329(2) . ?
C10 C24 1.494(2) . ?
C11 C28 1.478(2) . ?
C14 C23A 1.406(2) . ?
C14 C14A 1.417(3) . ?
C14A C15 1.425(3) . ?
C14A C18A 1.440(2) . ?
C15 C16 1.365(3) . ?
C16 C17 1.405(4) . ?
C17 C18 1.340(4) . ?
C18 C18A 1.441(3) . ?
C18A C19 1.381(3) . ?
C19 C19A 1.396(3) . ?
C19A C20 1.420(3) . ?
C19A C23A 1.440(2) . ?
C20 C21 1.344(4) . ?
C21 C22 1.422(4) . ?
C22 C23 1.355(3) . ?
C23 C23A 1.430(3) . ?
C31 C31A 1.972(15) . ?
