data_2011804
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  298
_journal_page_last  301
_publ_section_title
;
Three 1,6-anhydro-\b-D-glycopyranose derivatives
;
loop_
_publ_author_name
  'Foces-Foces, C.'
  '1,6-anhydro-3,4-O-(S)-benzylidene-\b-D-galactopyranose'
_chemical_formula_sum  'C13 H14 O5'
_chemical_formula_weight  250.25
_chemical_melting_point  '459-462'
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21'
_symmetry_space_group_name_Hall  'P 2y1'
loop_
_symmetry_equiv_pos_as_xyz
  +x,+y,+z
  -x,1/2+y,-z
_cell_length_a  9.0956(3)
_cell_length_b  5.8461(2)
_cell_length_c  11.0603(5)
_cell_angle_alpha  90
_cell_angle_beta  102.871(4)
_cell_angle_gamma  90
_cell_volume  573.34(4)
_cell_formula_units_Z  2
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.45
_diffrn_ambient_temperature  293
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_calc_attached_atom
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
  O1  .1739(2)  .45000  .5794(2)  .0610(11) Uani ? ? 1.0 ? ?
  O2  .5544(3)  .2745(6)  .5685(2)  .0632(12) Uani ? ? 1.0 ? ?
  O3  .40298(17)  .3488(5)  .83675(14)  .0406(8) Uani ? ? 1.0 ? ?
  O4  .2845(2)  .0107(5)  .84334(16)  .0489(9) Uani ? ? 1.0 ? ?
  O5  .2455(3)  .1091(6)  .51352(18)  .0588(11) Uani ? ? 1.0 ? ?
  C1  .2890(3)  .3421(7)  .5331(2)  .0506(13) Uani ? ? 1.0 ? ?
  C2  .4393(3)  .3576(6)  .6253(2)  .0427(11) Uani ? ? 1.0 ? ?
  C3  .4423(3)  .2134(7)  .7409(2)  .0417(11) Uani ? ? 1.0 ? ?
  C4  .3271(3)  .0171(6)  .7268(2)  .0445(12) Uani ? ? 1.0 ? ?
  C5  .1901(3)  .0595(7)  .6228(2)  .0509(14) Uani ? ? 1.0 ? ?
  C6  .1029(3)  .2754(8)  .6378(3)  .0559(14) Uani ? ? 1.0 ? ?
  C7  .3703(3)  .1849(6)  .9202(2)  .0414(11) Uani ? ? 1.0 ? ?
  C8  .2819(2)  .2800(6) 1.0074(2)  .0371(10) Uani ? ? 1.0 ? ?
  C9  .2712(3)  .1490(7) 1.1094(2)  .0470(12) Uani ? ? 1.0 ? ?
  C10  .1879(3)  .2222(8) 1.1920(3)  .0594(16) Uani ? ? 1.0 ? ?
  C11  .1161(4)  .4318(8) 1.1733(3)  .0618(17) Uani ? ? 1.0 ? ?
  C12  .1260(3)  .5651(7) 1.0728(3)  .0560(14) Uani ? ? 1.0 ? ?
  C13  .2101(3)  .4903(7)  .9895(2)  .0447(12) Uani ? ? 1.0 ? ?
  H21  .597(5)  .387(10)  .529(4)  .056(12) Uiso ? ? 1.0 ? ?
  H1  .29880  .41594  .44975  .06500 Uiso ? ? 1.0 ? ?
  H2  .46026  .52732  .65188  .05400 Uiso ? ? 1.0 ? ?
  H3  .54953  .14214  .76819  .05200 Uiso ? ? 1.0 ? ?
  H4  .37932  -.13346  .70852  .05700 Uiso ? ? 1.0 ? ?
  H5  .12224  -.08572  .60895  .06400 Uiso ? ? 1.0 ? ?
  H6a  -.01030  .25796  .59385  .05500 Uiso ? ? 1.0 ? ?
  H6b  .11135  .31293  .73112  .05500 Uiso ? ? 1.0 ? ?
  H7  .46905  .11657  .97369  .05000 Uiso ? ? 1.0 ? ?
  H9  .32553  -.00879 1.12346  .04700 Uiso ? ? 1.0 ? ?
  H10  .18014  .12221 1.26808  .06000 Uiso ? ? 1.0 ? ?
  H11  .05310  .48793 1.23521  .06300 Uiso ? ? 1.0 ? ?
  H12  .07204  .72141 1.05990  .05500 Uiso ? ? 1.0 ? ?
  H13  .21812  .59214  .91412  .04300 Uiso ? ? 1.0 ? ?
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  .0514(11)  .0568(13)  .0718(13)  .0027(10)  .0072(10)  .0168(11)
  O2  .0709(12)  .0567(14)  .0759(13)  .0031(11)  .0456(11)  .0015(11)
  O3  .0379(8)  .0444(10)  .0400(8)  -.0074(8)  .0098(6)  -.0063(8)
  O4  .0692(11)  .0357(9)  .0449(9)  -.0066(9)  .0196(8)  -.0007(8)
  O5  .0758(13)  .0594(13)  .0410(9)  -.0193(11)  .0124(9)  -.0093(9)
  C1  .0622(16)  .0476(16)  .0417(12)  -.0058(14)  .0110(11)  .0051(13)
  C2  .0472(12)  .0362(13)  .0481(12)  -.0025(11)  .0177(10)  -.0022(11)
  C3  .0406(11)  .0429(15)  .0427(11)  .0025(11)  .0118(9)  -.0019(12)
  C4  .0586(14)  .0322(12)  .0459(12)  -.0005(11)  .0182(10)  -.0019(11)
  C5  .0618(16)  .0466(17)  .0441(13)  -.0164(14)  .0117(11)  -.0075(12)
  C6  .0428(12)  .068(2)  .0525(14)  -.0035(14)  .0007(10)  .0064(14)
  C7  .0382(10)  .0456(14)  .0383(11)  .0053(10)  .0040(9)  .0023(11)
  C8  .0278(9)  .0424(14)  .0379(11)  -.0003(10)  .0005(7)  -.0035(10)
  C9  .0430(12)  .0543(17)  .0413(12)  .0055(12)  .0042(9)  .0043(12)
  C10  .0585(16)  .076(2)  .0446(13)  .0011(17)  .0133(11)  .0035(15)
  C11  .0561(16)  .075(2)  .0569(16)  .0052(16)  .0177(13)  -.0147(16)
  C12  .0419(13)  .0547(18)  .0690(17)  .0086(13)  .0070(11)  -.0128(15)
  C13  .0392(11)  .0413(15)  .0501(13)  .0015(11)  .0024(9)  -.0009(12)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  O1 C1 . . 1.412(4) ?
  O1 C6 . . 1.436(4) ?
  O2 H21 . . .92(5) ?
  O2 C2 . . 1.421(4) yes
  O3 C7 . . 1.407(4) ?
  O3 C3 . . 1.431(4) yes
  O4 C4 . . 1.426(3) ?
  O4 C7 . . 1.440(4) ?
  O5 C1 . . 1.422(5) ?
  O5 C5 . . 1.439(4) ?
  C1 H1 . . 1.039 ?
  C1 C2 . . 1.515(3) ?
  C2 H2 . . 1.040 ?
  C2 C3 . . 1.527(4) ?
  C3 H3 . . 1.042 ?
  C3 C4 . . 1.538(5) ?
  C4 H4 . . 1.041 ?
  C4 C5 . . 1.516(4) ?
  C5 H5 . . 1.041 ?
  C5 C6 . . 1.519(5) ?
  C6 H6b . . 1.041 ?
  C6 H6a . . 1.042 ?
  C7 H7 . . 1.039 ?
  C7 C8 . . 1.494(4) ?
  C8 C9 . . 1.384(4) ?
  C8 C13 . . 1.386(5) ?
  C9 H9 . . 1.042 ?
  C9 C10 . . 1.379(4) ?
  C10 H10 . . 1.040 ?
  C10 C11 . . 1.382(6) ?
  C11 H11 . . 1.039 ?
  C11 C12 . . 1.377(5) ?
  C12 H12 . . 1.032 ?
  C12 C13 . . 1.393(5) ?
  C13 H13 . . 1.040 ?