data_2008346
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  632
_journal_page_last  633
_publ_section_title
;
FF-\b-D-arabinofuranosyluracil
;
loop_
_publ_author_name
  'Hempel, Andrew'
  'Camerman, Norman'
  'Grierson, John'
  'Mastropaolo, Donald'
  'Camerman, Arthur'
_chemical_name_common  FF-arabino-uridine
_chemical_formula_moiety  'C9 H10 F2 N2 O5'
_chemical_formula_sum  'C9 H10 F2 N2 O5'
_chemical_formula_weight  264.19
_symmetry_cell_setting  Tetragonal
_symmetry_space_group_name_H-M  'P 41'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, z+1/2'
  '-y, x, z+1/4'
  'y, -x, z+3/4'
_cell_length_a  9.975(2)
_cell_length_b  9.975(2)
_cell_length_c  10.418(2)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  1036.6(4)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.693
_diffrn_ambient_temperature  293(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
  N1 0.5951(2) 0.15403(19) 0.3548(3) 0.0299(5) Uani d . 1 . . N
  C2 0.4995(2) 0.2241(2) 0.4230(3) 0.0329(5) Uani d . 1 . . C
  O2 0.4149(2) 0.2932(2) 0.3705(3) 0.0542(6) Uani d . 1 . . O
  N3 0.5051(2) 0.2092(2) 0.5538(3) 0.0327(5) Uani d . 1 . . N
  H3 0.4429 0.2482 0.5972 0.043(3) Uiso calc R 1 . . H
  C4 0.5983(3) 0.1395(2) 0.6228(3) 0.0322(6) Uani d . 1 . . C
  O4 0.5950(2) 0.13155(19) 0.7405(3) 0.0454(5) Uani d . 1 . . O
  C5 0.6964(2) 0.0736(2) 0.5435(3) 0.0342(6) Uani d . 1 . . C
  F5 0.79260(18) 0.0026(2) 0.6036(3) 0.0541(5) Uani d . 1 . . F
  C6 0.6944(2) 0.0824(2) 0.4156(3) 0.0333(6) Uani d . 1 . . C
  H6 0.7604 0.0398 0.3675 0.043(3) Uiso calc R 1 . . H
  C1' 0.5883(2) 0.1662(2) 0.2153(3) 0.0283(5) Uani d . 1 . . C
  H1' 0.4947 0.1611 0.1872 0.043(3) Uiso calc R 1 . . H
  O1' 0.66188(17) 0.05847(15) 0.1622(3) 0.0304(4) Uani d . 1 . . O
  C2' 0.6533(2) 0.2922(2) 0.1607(3) 0.0326(6) Uani d . 1 . . C
  H2' 0.5889 0.3660 0.1538 0.043(3) Uiso calc R 1 . . H
  F2' 0.76203(19) 0.32676(16) 0.2372(3) 0.0542(5) Uani d . 1 . . F
  C3' 0.7026(2) 0.2470(2) 0.0290(3) 0.0283(5) Uani d . 1 . . C
  H3' 0.7986 0.2660 0.0208 0.043(3) Uiso calc R 1 . . H
  O3' 0.63165(19) 0.31399(16) -0.0695(3) 0.0369(5) Uani d . 1 . . O
  H3'1 0.6173 0.2618 -0.1287 0.043(3) Uiso calc R 1 . . H
  C4' 0.6797(2) 0.0927(2) 0.0295(3) 0.0281(5) Uani d . 1 . . C
  H4' 0.5964 0.0730 -0.0167 0.043(3) Uiso calc R 1 . . H
  C5' 0.7911(2) 0.0090(2) -0.0272(3) 0.0318(5) Uani d . 1 . . C
  H5'1 0.7729 -0.0852 -0.0119 0.043(3) Uiso calc R 1 . . H
  H5'2 0.7946 0.0231 -0.1193 0.043(3) Uiso calc R 1 . . H
  O5' 0.91676(16) 0.04325(18) 0.0277(3) 0.0372(4) Uani d . 1 . . O
  H5' 0.9690 0.0651 -0.0293 0.043(3) 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
  N1 0.0329(10) 0.0369(10) 0.0200(10) 0.0078(8) 0.0031(8) 0.0009(8)
  C2 0.0294(11) 0.0415(11) 0.0278(13) 0.0056(10) 0.0056(9) 0.0002(10)
  O2 0.0568(12) 0.0727(13) 0.0330(11) 0.0335(10) 0.0046(10) 0.0043(9)
  N3 0.0350(10) 0.0400(10) 0.0231(10) 0.0011(8) 0.0053(8) -0.0033(8)
  C4 0.0374(12) 0.0332(13) 0.0261(12) -0.0086(9) -0.0020(10) -0.0014(9)
  O4 0.0645(12) 0.0510(10) 0.0208(9) -0.0072(9) -0.0029(9) 0.0006(8)
  C5 0.0344(11) 0.0375(11) 0.0308(13) 0.0046(9) -0.0070(10) 0.0007(10)
  F5 0.0555(9) 0.0644(11) 0.0425(11) 0.0176(8) -0.0188(8) 0.0027(8)
  C6 0.0357(12) 0.0343(11) 0.0300(14) 0.0052(9) -0.0008(9) -0.0018(10)
  C1' 0.0333(11) 0.0321(11) 0.0197(12) 0.0044(8) 0.0030(9) -0.0010(9)
  O1' 0.0421(8) 0.0268(7) 0.0224(9) 0.0013(6) 0.0090(7) 0.0014(6)
  C2' 0.0454(12) 0.0280(11) 0.0244(12) 0.0002(9) -0.0019(10) -0.0004(9)
  F2' 0.0753(11) 0.0535(9) 0.0338(9) -0.0278(8) -0.0144(8) -0.0008(8)
  C3' 0.0301(9) 0.0302(10) 0.0247(12) -0.0035(8) 0.0001(9) 0.0008(8)
  O3' 0.0534(10) 0.0344(8) 0.0230(9) 0.0000(7) -0.0021(8) 0.0053(7)
  C4' 0.0337(10) 0.0304(11) 0.0202(11) -0.0023(8) 0.0008(9) 0.0022(9)
  C5' 0.0368(11) 0.0368(12) 0.0219(12) -0.0004(9) 0.0022(10) -0.0021(9)
  O5' 0.0332(8) 0.0455(9) 0.0329(8) 0.0006(7) 0.0044(7) -0.0003(7)
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
  N1 C2 . 1.380(3) ?
  N1 C6 . 1.376(3) ?
  N1 C1' . 1.460(3) ?
  C2 O2 . 1.220(3) ?
  C2 N3 . 1.372(3) ?
  N3 C4 . 1.366(3) ?
  N3 H3 . 0.8600 ?
  C4 O4 . 1.229(3) ?
  C4 C5 . 1.440(4) ?
  C5 C6 . 1.335(4) ?
  C5 F5 . 1.347(3) ?
  C6 H6 . 0.9300 ?
  C1' O1' . 1.415(3) ?
  C1' C2' . 1.524(3) ?
  C1' H1' . 0.9800 ?
  O1' C4' . 1.434(3) ?
  C2' F2' . 1.389(3) ?
  C2' C3' . 1.526(3) ?
  C2' H2' . 0.9800 ?
  C3' O3' . 1.414(3) ?
  C3' C4' . 1.556(3) ?
  C3' H3' . 0.9800 ?
  O3' H3'1 . 0.8200 ?
  C4' C5' . 1.511(3) ?
  C4' H4' . 0.9800 ?
  C5' O5' . 1.419(3) ?
  C5' H5'1 . 0.9700 ?
  C5' H5'2 . 0.9700 ?
  O5' H5' . 0.8200 ?