#------------------------------------------------------------------------------
#$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $
#$Revision: 205898 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/57/2015715.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_2015715
loop_
_publ_author_name
'Everaert, D. H.'
'Peeters, O. M.'
'Blaton, N. M.'
'De Ranter, C. J.'
'Van Aerschot, A.'
'Herdewijn, P.'
_publ_section_title
;
 Structure of a nucleoside analogue, 3'-deoxy-2'-fluorothymidine
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1934
_journal_page_last               1936
_journal_paper_doi               10.1107/S0108270190004152
_journal_volume                  46
_journal_year                    1990
_chemical_formula_sum            'C10 H13 F N2 O4'
_chemical_formula_weight         244.22
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.040(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.6001(7)
_cell_length_b                   6.18470(10)
_cell_length_c                   16.9227(4)
_cell_volume                     1098.52(8)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    1.040
_exptl_crystal_density_diffrn    1.477
_exptl_crystal_density_meas      1.47
_exptl_crystal_F_000             512
_cod_data_source_file            ge0136.cif
_cod_data_source_block           ge0136a
_cod_original_formula_sum        'C10 H13 F1 N2 O4'
_cod_database_code               2015715
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1A .9228(2) .6140 .26270(10)
C2A .9842(2) .7627(4) .31420(10)
O2A 1.0432(2) .9161(3) .29320(10)
N3A .9750(2) .7228(4) .39340(10)
C4A .9141(2) .5519(4) .42370(10)
O4A .9164(2) .5376(4) .49732(9)
C5A .8510(2) .4032(5) .36620(10)
C6A .8587(2) .4419(5) .28870(10)
C7A .7799(3) .2133(5) .3923(2)
C1'A .9350(3) .6422(5) .17630(10)
C2'A 1.0526(2) .5293(6) .15650(10)
F2'A 1.0953(2) .6435(4) .09320(10)
C3'A 1.0040(2) .3136(6) .1259(2)
C4'A .8730(2) .3674(5) .08400(10)
O4'A .8309(2) .5459(3) .12928(9)
C5'A .7755(3) .1887(6) .0775(2)
O5'A .7664(2) .1082(4) .15420(10)
N1B .4865(2) .5186(4) .24050(10)
C2B .5433(2) .6399(5) .18660(10)
O2B .6084(2) .7974(4) .20760(10)
N3B .5186(2) .5722(4) .10950(10)
C4B .4472(2) .3973(5) .08150(10)
O4B .4316(2) .3588(4) .00870(10)
C5B .3938(2) .2721(5) .1401(2)
C6B .4150(2) .3383(5) .2170(2)
C7B .3198(3) .0734(6) .1141(2)
C1'B .5134(2) .5858(5) .32550(10)
C2'B .4424(3) .7897(4) .34070(10)
F2'B .5151(2) .8951(3) .40490(10)
C3'B .3225(3) .7057(5) .3670(2)
C4'B .3667(2) .5051(5) .41300(10)
O4'B .4716(2) .4239(3) .37355(9)
C5'B .2694(3) .3299(6) .4155(2)
O5'B .2074(2) .2840(4) .33770(10)
H1A .818(2) .363(5) .2550(10)
H2A 1.017(2) .818(5) .4280(10)
H3A .732(2) .133(5) .3460(10)
H4A .714(2) .258(5) .4190(10)
H5A .833(2) .133(5) .4240(10)
H6A .937(2) .811(5) .1650(10)
H7A 1.121(2) .525(5) .1980(10)
H8A 1.056(2) .249(5) .0920(10)
H9A 1.000(2) .224(5) .1670(10)
H10A .882(2) .418(5) .0300(10)
H11A .691(2) .258(5) .0550(10)
H12A .806(2) .068(5) .0450(10)
H13A .711(2) .015(5) .1500(10)
H1B .374(2) .259(5) .2620(10)
H2B .546(2) .637(5) .0790(10)
H3B .279(2) .029(5) .1510(10)
H4B .375(2) -.023(5) .0950(10)
H5B .255(2) .112(5) .0720(10)
H6B .607(2) .611(5) .3370(10)
H7B .433(2) .892(5) .2980(10)
H8B .282(2) .816(5) .3940(10)
H9B .261(2) .661(5) .3160(10)
H10B .411(2) .556(5) .4730(10)
H11B .316(2) .207(5) .4380(10)
H12B .205(2) .362(5) .4540(10)
H13B .152(2) .180(5) .3360(10)
