#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/09/2000928.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_2000928
loop_
_publ_author_name
'Ribár, B.'
'Lazar, D.'
'Gašić, O.'
'Kanyó, I.'
'Engel, P.'
_publ_section_title
;
 Structure of isocorydine
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              945
_journal_page_last               947
_journal_paper_doi               10.1107/S0108270191011587
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C20 H23 N O4'
_chemical_formula_weight         341.41
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.536(5)
_cell_length_b                   9.926(8)
_cell_length_c                   23.397(16)
_cell_volume                     1750(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.084
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_F_000             728
_cod_data_source_file            ka0010.cif
_cod_data_source_block           ka0010a
_cod_original_formula_sum        'C20 H23 N1 O4'
_cod_database_code               2000928
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
O1 .3371(4) .9336(3) .41640(10) .0580(10)
O2 .2184(3) .6970(2) .44320(10) .0380(10)
O3 .1809(3) .4552(3) .40890(10) .0450(10)
O4 .0159(4) .2438(3) .44320(10) .0570(10)
N -.3731(4) .8445(3) .27610(10) .0520(10)
C1 .1198(5) .9600(4) .3400(2) .0520(10)
C2 -.0296(5) .9089(4) .3129(2) .0490(10)
C3 -.1161(7) .9901(5) .2660(2) .0750(10)
C4 -.2549(6) .9089(5) .2341(2) .0680(10)
C5 -.2760(5) .7362(4) .30530(10) .0410(10)
C6 -.3814(5) .6784(4) .35500(10) .0400(10)
C7 -.2807(4) .5634(4) .38070(10) .0350(10)
C8 -.3650(5) .4462(4) .3960(2) .0450(10)
C9 -.2716(5) .3381(4) .4176(2) .0500(10)
C10 -.0893(5) .3447(4) .4227(2) .0420(10)
C11 .0005(4) .4628(4) .40650(10) .0340(10)
C12 -.0942(4) .5753(3) .38740(10) .0310(10)
C13 -.0157(4) .7080(3) .37190(10) .0330(10)
C14 .1313(4) .7641(3) .39910(10) .0340(10)
C15 .1974(5) .8902(4) .3839(2) .0450(10)
C16 -.1008(5) .7862(4) .32910(10) .0390(10)
C17 .4135(7) 1.0593(4) .4023(2) .088(2)
C18 .1532(5) .7244(5) .4992(2) .0570(10)
C19 -.0707(6) .1248(4) .4634(2) .0630(10)
C20 -.5319(6) .7932(5) .2477(2) .0690(10)
H3 .217 .527 .419 ?
H1 .175 1.055 .326 ?
H31 -.016 1.023 .236 ?
H32 -.179 1.077 .285 ?
H41 -.191 .833 .208 ?
H42 -.331 .975 .207 ?
H5 -.255 .659 .273 ?
H61 -.509 .643 .340 ?
H62 -.401 .756 .387 ?
H8 -.507 .439 .391 ?
H9 -.341 .248 .431 ?
H171 .521 1.080 .431 ?
H172 .315 1.138 .406 ?
H173 .464 1.056 .359 ?
H181 .229 .668 .530 ?
H182 .015 .696 .502 ?
H183 .167 .831 .508 ?
H191 .027 .054 .478 ?
H192 -.146 .080 .429 ?
H193 -.159 .151 .498 ?
H201 -.617 .746 .279 ?
H202 -.494 .720 .216 ?
H203 -.602 .876 .228 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
O1 C15 1.368(5)
O1 C17 1.413(5)
O2 C14 1.392(4)
O2 C18 1.426(5)
O3 C11 1.363(4)
O4 C10 1.364(5)
O4 C19 1.430(5)
N C4 1.472(5)
N C5 1.469(5)
N C20 1.461(5)
C1 C2 1.388(6)
C1 C15 1.370(6)
C2 C3 1.510(7)
C2 C16 1.384(6)
C3 C4 1.517(7)
C5 C6 1.521(4)
C5 C16 1.516(5)
C6 C7 1.497(5)
C7 C8 1.373(5)
C7 C12 1.419(4)
C8 C9 1.379(6)
C9 C10 1.381(5)
C10 C11 1.406(5)
C11 C12 1.399(5)
C12 C13 1.489(4)
C13 C14 1.394(4)
C13 C16 1.420(4)
C14 C15 1.393(5)
