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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005590.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_2005590
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume 	C52
_journal_page_first 	2853
_journal_page_last 	2857
_publ_section_title 	
;
Directly Linked C-Disaccharides: Structures of Two 3,4-Dihydro-2H-pyran
Derivatives
;
_chemical_formula_sum 	'C19 H28 O8'
_chemical_formula_analytical 	'C19 H28 O8'
_chemical_formula_weight 	384.42
_symmetry_cell_setting 	'orthorhombic'
loop_
_symmetry_equiv_pos_as_xyz
 'x,y,z'
 'x+1/2,-y+1/2,-z'
 '-x+1/2,-y,z+1/2'
 '-x,y+1/2,-z+1/2'
_symmetry_space_group_name_H-M 	'P 21 21 21'
_cell_length_a 	17.339(4)
_cell_length_b 	16.430(5)
_cell_length_c 	7.222(3)
_cell_angle_alpha 	90.00
_cell_angle_beta 	      90.
_cell_angle_gamma 	90.00
_cell_volume 	2057.4(12)
_cell_formula_units_Z 	4
_exptl_crystal_density_diffrn 	1.241
_cell_measurement_temperature 	293(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 1.04398(8) 0.13883(9) 1.2628(2) 0.0536(10)
 O2 1 0.73061(10) 0.12088(11) 1.2065(3) 0.0773(12)
 O3 1 0.64200(9) 0.15231(11) 0.9890(3) 0.0734(11)
 O4 1 0.73737(9) 0.33962(10) 0.8670(2) 0.0592(11)
 O5 1 0.81216(10) 0.27669(11) 0.6544(2) 0.0602(11)
 O6 1 0.81046(9) 0.16283(9) 0.8470(2) 0.0509(10)
 O7 1 1.00207(9) 0.01552(10) 1.1391(2) 0.0550(10)
 O8 1 1.06433(12) 0.19071(13) 1.6140(3) 0.0937(14)
 C3 1 1.0004(2) 0.1920(2) 1.5476(4) 0.067(2)
 C4 1 0.98142(14) 0.16419(15) 1.3603(4) 0.047(2)
 C5 1 0.90964(15) 0.1645(2) 1.3021(4) 0.0474(15)
 C6 1 0.88716(13) 0.1386(2) 1.1116(4) 0.0450(13)
 C7 1 0.82633(14) 0.19437(14) 1.0282(4) 0.044(2)
 C8 1 0.75165(15) 0.1991(2) 1.1397(4) 0.052(2)
 C9 1 0.6590(2) 0.0962(2) 1.1339(5) 0.071(2)
 C10 1 0.68253(15) 0.2270(2) 1.0255(4) 0.056(2)
 C11 1 0.70286(15) 0.26129(15) 0.8378(4) 0.055(2)
 C12 1 0.78508(14) 0.3549(2) 0.7114(4) 0.060(2)
 C13 1 0.76527(14) 0.2145(2) 0.7347(4) 0.053(2)
 C14 1 0.9602(2) 0.1355(2) 0.9941(4) 0.052(2)
 C15 1 1.0250(2) 0.0951(2) 1.0962(4) 0.052(2)
 C16 1 1.0593(2) -0.0300(2) 1.2379(6) 0.074(2)
 C17 1 1.0354(3) -0.1177(2) 1.2319(7) 0.093(4)
 C18 1 0.5976(3) 0.1003(3) 1.2810(8) 0.103(3)
 C19 1 0.6666(2) 0.0126(2) 1.0457(5) 0.119(4)
 H19A 1 0.6199(7) 0.0001(7) 0.9772(33) 0.211(11)
 H19B 1 0.6743(16) -0.0279(3) 1.1415(6) 0.211(11)
 H19C 1 0.7103(10) 0.0124(5) 0.9620(29) 0.211(11)
 C20 1 0.8534(2) 0.4058(3) 0.7718(7) 0.081(3)
 C21 1 0.7395(2) 0.3928(3) 0.5546(6) 0.078(2)
 H3 1 0.9525(14) 0.2167(14) 1.6340(33) 0.079(9)
 H5 1 0.8679(11) 0.1865(11) 1.3846(27) 0.045(7)
 H6 1 0.8630(11) 0.0849(12) 1.1175(28) 0.051(7)
 H7 1 0.8495(11) 0.2522(11) 1.0080(28) 0.040(6)
 H8 1 0.7651(12) 0.2338(13) 1.2558(32) 0.062(8)
 H10 1 0.6454(13) 0.2719(15) 1.1286(36) 0.100(9)
 H11 1 0.6557(11) 0.2705(12) 0.7547(31) 0.054(7)
 H141 1 0.9826(11) 0.1970(13) 0.9650(27) 0.052(7)
 H142 1 0.9532(12) 0.1127(13) 0.8909(30) 0.044(8)
 H13 1 0.7403(11) 0.1790(12) 0.6277(29) 0.054(7)
 H15 1 1.0761(12) 0.0980(12) 1.0211(31) 0.057(7)
 H161 1 1.1155(13) -0.0233(14) 1.1841(33) 0.073(9)
 H162 1 1.0678(19) -0.0036(20) 1.3772(50) 0.168(17)
 H171 1 1.0241(18) -0.1392(19) 1.0869(50) 0.154(16)
 H172 1 0.9848(21) -0.1291(23) 1.3093(56) 0.188(21)
 H173 1 1.0743(18) -0.1425(21) 1.2723(54) 0.146(18)
 H181 1 0.6157(18) 0.0711(19) 1.3681(44) 0.097(15)
 H182 1 0.6072(17) 0.1618(21) 1.3391(44) 0.134(16)
 H183 1 0.5424(23) 0.0813(24) 1.2282(57) 0.210(21)
 H201 1 0.8904(18) 0.4098(18) 0.6608(44) 0.126(14)
 H202 1 0.8367(18) 0.4553(21) 0.8164(47) 0.134(17)
 H203 1 0.8829(20) 0.3767(20) 0.8647(51) 0.147(19)
 H211 1 0.6841(17) 0.3570(16) 0.5120(42) 0.137(13)
 H212 1 0.7746(13) 0.3906(14) 0.4371(36) 0.085(10)
 H213 1 0.7236(19) 0.4351(18) 0.5876(50) 0.124(17)