#------------------------------------------------------------------------------
#$Date: 2017-01-19 18:11:47 +0200 (Thu, 19 Jan 2017) $
#$Revision: 190731 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/10/2001073.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_2001073
loop_
_publ_author_name
'Yamaguchi, K.'
'Matsumura, G.'
'Shimizu, M.'
'Tanaka, H.'
'Miyasaka, T.'
_publ_section_title
;
 Structure of 1-(β-<small>D</small>-arabinofuranosyl)-6-methylcytosine
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              384
_journal_page_last               385
_journal_paper_doi               10.1107/S0108270191008739
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C10 H15 N3 O5'
_chemical_formula_weight         257.25
_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                   10.235(2)
_cell_length_b                   10.8330(10)
_cell_length_c                   10.129(3)
_cell_volume                     1123.1(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54050
_exptl_absorpt_coefficient_mu    1.002
_exptl_crystal_density_diffrn    1.521
_exptl_crystal_F_000             544
_cod_data_source_file            as0513.cif
_cod_data_source_block           as0513a
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-19
;
_cod_original_cell_volume        1123.0(3)
_cod_database_code               2001073
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N .5731(2) 1.0912(2) .3109(2)
C2 C .4637(3) 1.0449(3) .3791(3)
N3 N .4594(2) 1.0433(2) .5113(2)
C4 C .5595(3) 1.0911(3) .5785(3)
C5 C .6671(3) 1.1468(3) .5142(3)
C6 C .6721(3) 1.1476(3) .3817(3)
O2 O .3716(2) 1.0032(2) .3116(2)
N4 N .5547(3) 1.0840(3) .7093(3)
C16 C .7839(3) 1.2083(4) .3117(4)
O4' O .4875(2) 1.20030(10) .1288(2)
C1' C .5696(3) 1.1018(3) .1663(3)
C2' C .5262(3) .9886(2) .0851(3)
C3' C .3908(3) 1.0201(3) .0327(3)
C4' C .3846(3) 1.1608(3) .0411(3)
O2' O .5399(2) .8739(2) .1503(2)
O3' O .3772(2) .9761(2) -.0996(2)
C5' C .2572(4) 1.2083(3) .0948(4)
O5' O .2615(2) 1.3393(2) .1122(3)
H5 H .738(4) 1.187(4) .569(4)
HN4A H .627(4) 1.120(4) .756(4)
HN4B H .483(5) 1.053(4) .751(4)
H16A H .837(4) 1.144(4) .250(4)
H16B H .750(4) 1.275(4) .252(4)
H16C H .841(4) 1.242(4) .378(4)
H1' H .660(4) 1.122(3) .142(4)
H2' H .587(4) .985(4) .015(4)
H3' H .323(4) .981(4) .084(4)
H4' H .398(4) 1.204(3) -.041(4)
H2 H .472(4) .874(4) .209(4)
H3 H .294(5) 1.008(4) -.117(4)
H5'A H .175(4) 1.193(4) .041(4)
H5'B H .235(4) 1.172(4) .175(4)
H5' H .341(5) 1.364(4) .157(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
N1 C6 1.382(4)
N1 C1' 1.470(4)
C2 N3 1.340(4)
C4 N4 1.328(4)
C5 C6 1.343(5)
O4' C1' 1.409(4)
C1' C2' 1.541(4)
C2' C3' 1.521(4)
C3' C4' 1.528(5)
C4' C5' 1.505(5)
N1 C2 1.409(4)
C2 O2 1.247(4)
N3 C4 1.333(4)
C4 C5 1.417(5)
C6 C16 1.500(5)
O4' C4' 1.440(4)
C2' O2' 1.415(4)
C3' O3' 1.428(3)
C4' O4' 1.440(4)
C5' O5' 1.430(4)
