#------------------------------------------------------------------------------
#$Date: 2009-11-14 13:09:05 +0000 (Sat, 14 Nov 2009) $
#$Revision: 846 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004930.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_2004930
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first     1274
_journal_page_last     1277
_publ_section_title
;
(1R,2S,4R)-2-Benzyloxy-4-methoxy-5-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]
octane and
(1R,2S,4R)-2-Benzyloxy-4-methoxy-2-methyl-6,8-dioxabicyclo[3.2.1]octane
;
_chemical_formula_moiety     'C17 H24 O4'
_chemical_formula_sum     'C17 H24 O4'
_chemical_formula_structural     'C68 H96 O16'
_chemical_formula_weight     292.36
_symmetry_cell_setting    'orthorhombic'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'
_symmetry_space_group_name_H-M     'P 21 21 21'
_cell_length_a     8.075(3)
_cell_length_b     8.382(2)
_cell_length_c     22.978(7)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     90.00
_cell_volume     1555.3(8)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.249
_cell_measurement_temperature     133(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  .3556(4)  .4257(5)  .57590(14)  .0312(9)
O2 1  .5472(4)  .3773(4)  .7178(2)  .0315(10)
O4 1  .1468(4)  .4256(4)  .74434(14)  .0290(10)
O5 1  .2737(4)  .2616(4)  .64894(14)  .0259(9)
C1 1  .4164(6)  .3367(7)  .6251(2)  .0274(13)
C2 1  .4809(6)  .4593(7)  .6687(2)  .0261(13)
H2 1  .5735(6)  .5190(7)  .6497(2)  .031
C3 1  .3462(6)  .5802(7)  .6849(2)  .0296(13)
H3A 1  .3437(6)  .6651(7)  .6549(2)  .036
H3B 1  .3759(6)  .6305(7)  .7224(2)  .036
C4 1  .1724(7)  .5075(7)  .6902(2)  .0277(13)
H4 1  .0873(7)  .5933(7)  .6857(2)  .033
C5 1  .1476(7)  .3823(7)  .6435(2)  .0299(13)
H5 1  .0345(7)  .3342(7)  .6462(2)  .036
C6 1  .1813(6)  .4436(8)  .5821(2)  .0368(15)
H6A 1  .1212(6)  .3795(8)  .5528(2)  .044
H6B 1  .1483(6)  .5569(8)  .5782(2)  .044
C7 1  .6667(7)  .4726(8)  .7481(3)  .046(2)
H7A 1  .7096(7)  .4128(8)  .7815(3)  .055
H7B 1  .6142(7)  .5711(8)  .7617(3)  .055
H7C 1  .7581(7)  .4989(8)  .7217(3)  .055
C8 1  .1078(6)  .5309(7)  .7912(2)  .0279(13)
H8A 1  -.0032(6)  .5782(7)  .7850(2)  .033
H8B 1  .1898(6)  .6186(7)  .7928(2)  .033
C9 1  .1103(6)  .4392(6)  .8473(2)  .0226(12)
C10 1  .2390(7)  .3354(6)  .8604(2)  .0309(13)
H10 1  .3233(7)  .3163(6)  .8324(2)  .037
C11 1  .2457(7)  .2596(7)  .9138(2)  .0346(15)
H11 1  .3339(7)  .1882(7)  .9221(2)  .042
C12 1  .1254(6)  .2870(7)  .9550(2)  .0343(15)
H12 1  .1315(6)  .2361(7)  .9919(2)  .041
C13 1  -.0043(8)  .3889(7)  .9425(2)  .040(2)
H13 1  -.0884(8)  .4072(7)  .9707(2)  .048
C14 1  -.0116(7)  .4644(7)  .8889(2)  .0332(14)
H14 1 -0.1011(7)  .5342(7)  .8806(2)  .040
C15 1  .5373(6)  .2099(6)  .6060(2)  .0274(13)
H15 1  .5765(6)  .1522(6)  .6415(2)  .033
C16 1  .6877(7)  .2828(8)  .5764(3)  .041(2)
H16A 1  .7637(7)  .1978(8)  .5645(3)  .049
H16B 1  .7441(7)  .3546(8)  .6036(3)  .049
H16C 1  .6521(7)  .3431(8)  .5420(3)  .049
C17 1  .4559(7)  .0878(7)  .5656(2)  .0352(15)
H17A 1  .5378(7)  .0075(7)  .5541(2)  .042
H17B 1  .4136(7)  .1420(7)  .5309(2)  .042
H17C 1  .3642(7)  .0356(7)  .5861(2)  .042