#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005043.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_2005043
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first     1558
_journal_page_last     1563
_publ_section_title
;
1-O-Benzyl-\b-L-arabinopyranose,
1-O-Benzyl-3,4-O-isopropylidene-\b-L-arabinopyranose and
1-O-Benzyl-2-O-benzoyl-3,4-O-isopropylidene-\b-L-arabinopyranose
;
_chemical_formula_sum     'C15 H20 O5'
_chemical_formula_weight     280.31
_symmetry_cell_setting     'monoclinic'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_[local]_cod_cif_authors_sg_H-M  'P 21'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
_cell_length_a     12.565(8)
_cell_length_b     5.692(3)
_cell_length_c     10.584(5)
_cell_angle_alpha     90.00
_cell_angle_beta     102.66(5)
_cell_angle_gamma     90.
_cell_volume     738.6(7)
_cell_formula_units_Z     2
_exptl_crystal_density_diffrn     1.260(2)
_exptl_crystal_density_meas     1.26
_cell_measurement_temperature     295(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
O1 1  .35156(16)  .2093(7)  .14423(18)  .0652(7)
O2 1  .40822(19)  .3209(6)  .4128(2)  .0605(6)
O3 1  .62787(16)  .5  .40243(18)  .0559(6)
O4 1  .71025(15)  .2461(6)  .28856(17)  .0533(6)
O5 1  .50117(17)  -.0413(6)  .17239(17)  .0541(6)
C1 1  .4235(3)  .0684(7)  .2318(3)  .0513(8)
C2 1  .4821(3)  .2169(7)  .3447(3)  .0431(7)
C3 1  .5457(3)  .4083(7)  .2980(3)  .0439(7)
C4 1  .6119(3)  .3211(8)  .2036(3)  .0456(7)
C5 1  .5615(3)  .1242(8)  .1149(3)  .0539(9)
C10 1  .2611(3)  .0872(11)  .0681(4)  .0807(13)
C11 1  .1644(3)  .0798(8)  .1311(3)  .0538(9)
C12 1  .1453(3)  .2611(9)  .2105(3)  .0622(9)
C13 1  .0534(3)  .2589(10)  .2612(4)  .0705(10)
C14 1  -.0204(3)  .0811(9)  .2343(4)  .0707(11)
C15 1  -.0018(4)  -.0997(9)  .1576(4)  .0735(11)
C16 1  .0903(3)  -.0995(9)  .1061(3)  .0657(10)
C30 1  .7325(3)  .4080(8)  .3930(3)  .0522(8)
C31 1  .7822(4)  .2736(10)  .5145(4)  .0743(12)
C32 1  .8008(4)  .6111(10)  .3657(5)  .0738(12)
H1 1  .3815 -0.0535  .2647  .048(8)
H2 1  .5329  .1163  .4047  .040(8)
H3 1  .4965  .5345  .2583  .050(9)
H4 1  .6279  .4534  .1514  .042(8)
H52 1  .5133  .1917  .0393  .053(9)
H51 1  .6191  .0414  .0855  .063(10)
H101 1  .2830 -0.0723  .0537  .117(18)
H102 1  .2396  .1633 -0.0156  .128(17)
H12 1  .1947  .3845  .2296  .076(12)
H13 1  .0416  .3811  .3149  .099(15)
H14 1 -0.0829  .0829  .2679  .074(11)
H15 1 -0.0511 -0.2235  .1398  .081(12)
H16 1  .1021 -0.2235  .0536  .060(10)
H311 1  .796(3)  .366(8)  .578(3)  .060(11)
H312 1  .735(4)  .138(11)  .536(5)  .14(2)
H313 1  .863(4)  .203(9)  .503(4)  .103(15)
H321 1  .810(4)  .699(8)  .433(4)  .084(14)
H322 1  .872(4)  .541(10)  .353(4)  .106(15)
H323 1  .771(4)  .694(10)  .278(5)  .123(18)
H20 1  .395(3)  .222(8)  .469(4)  .076(12)
_cod_database_code 2005043