#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/03/2200355.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_2200355
loop_
_publ_author_name
'Wei-Hua Jiang'
'Wei-Sheng Liu'
'Kai-Bei Yu'
_publ_section_title
;
N,N'-Bis(2-methoxyphenyl)-3,6-dioxaoctanediamide
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              o402
_journal_page_last               o403
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          'C20 H24 N2 O6'
_chemical_formula_moiety         'C20 H24 N2 O6'
_chemical_formula_structural     'C20 H24 N2 O6'
_chemical_formula_sum            'C20 H24 N2 O6'
_chemical_formula_weight         388.41
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.960(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.4670(10)
_cell_length_b                   16.002(2)
_cell_length_c                   8.2560(10)
_cell_measurement_temperature    296(2)
_cell_volume                     974.4(2)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.324
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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               2200355
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_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
_atom_site_type_symbol
O1 .13396(13) .30022(6) .08524(12) .0546(3) Uani d . 1 . . O
O2 -.17231(15) .55137(7) .21894(14) .0732(4) Uani d . 1 . . O
O3 .27821(14) .49699(6) .38105(12) .0607(3) Uani d . 1 . . O
N .00240(15) .43887(7) .18061(14) .0507(3) Uani d . 1 . . N
H0 .1108 .4199 .2068 .061 Uiso calc R 1 . . H
C1 -.04592(18) .31235(8) .02712(15) .0453(3) Uani d . 1 . . C
C2 -.1546(2) .25761(9) -.07294(17) .0523(4) Uani d . 1 . . C
H2 -.1064 .2082 -.1070 .063 Uiso calc R 1 . . H
C3 -.3355(2) .27640(10) -.12254(19) .0619(4) Uani d . 1 . . C
H3 -.4088 .2394 -.1899 .074 Uiso calc R 1 . . H
C4 -.4077(2) .34894(10) -.07346(19) .0633(4) Uani d . 1 . . C
H4 -.5298 .3608 -.1072 .076 Uiso calc R 1 . . H
C5 -.2997(2) .40476(9) .02634(18) .0558(4) Uani d . 1 . . C
H5 -.3491 .4542 .0589 .067 Uiso calc R 1 . . H
C6 -.11839(18) .38704(8) .07752(15) .0453(3) Uani d . 1 . . C
C7 -.0290(2) .51418(9) .24366(17) .0494(4) Uani d . 1 . . C
C8 .1303(2) .55213(9) .35304(17) .0529(4) Uani d . 1 . . C
H8A .1669 .6028 .3027 .063 Uiso calc R 1 . . H
H8B .0943 .5672 .4571 .063 Uiso calc R 1 . . H
C9 .4285(2) .53219(9) .4850(2) .0639(5) Uani d . 1 . . C
H9A .3928 .5496 .5878 .077 Uiso calc R 1 . . H
H9B .4730 .5807 .4331 .077 Uiso calc R 1 . . H
C10 .2185(2) .22778(9) .0340(2) .0637(4) Uani d . 1 . . C
H10A .1649 .1790 .0742 .076 Uiso calc R 1 . . H
H10B .3456 .2291 .0768 .076 Uiso calc R 1 . . H
H10C .2024 .2261 -.0836 .076 Uiso calc R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
O1 .0483(6) .0518(6) .0575(6) .0042(5) -.0109(5) -.0041(5)
O2 .0574(7) .0690(7) .0888(9) .0115(6) -.0023(6) -.0179(6)
O3 .0594(7) .0492(6) .0639(7) -.0021(5) -.0202(5) -.0067(5)
N .0454(7) .0490(7) .0521(7) .0017(5) -.0098(5) -.0043(5)
C1 .0446(8) .0482(8) .0394(7) -.0042(6) -.0051(6) .0078(6)
C2 .0574(10) .0479(8) .0470(8) -.0047(7) -.0061(7) .0020(6)
C3 .0575(10) .0612(10) .0594(9) -.0158(8) -.0142(8) .0017(8)
C4 .0450(9) .0687(11) .0702(10) -.0068(8) -.0099(8) .0064(8)
C5 .0479(9) .0565(9) .0594(9) .0012(7) -.0027(7) .0002(7)
C6 .0440(8) .0478(8) .0408(7) -.0032(6) -.0030(6) .0039(6)
C7 .0526(9) .0492(8) .0450(8) .0002(7) .0034(7) .0034(6)
C8 .0606(9) .0468(8) .0479(8) -.0022(7) -.0023(7) -.0001(6)
C9 .0640(11) .0546(9) .0643(9) -.0094(7) -.0178(8) -.0048(7)
C10 .0549(10) .0603(10) .0737(11) .0032(8) .0033(8) -.0025(8)
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 . 1.3680(16) ?
O1 C10 . 1.4155(17) ?
O2 C7 . 1.2138(17) ?
O3 C8 . 1.4044(17) ?
O3 C9 . 1.4189(17) ?
N C7 . 1.3477(18) ?
N C6 . 1.4095(16) ?
C1 C2 . 1.3782(18) ?
C1 C6 . 1.4016(19) ?
C2 C3 . 1.382(2) ?
C3 C4 . 1.368(2) ?
C4 C5 . 1.386(2) ?
C5 C6 . 1.3832(19) ?
C7 C8 . 1.5047(19) ?
C9 C9 3_666 1.476(3) ?