Crystallography Open Database

Information card for entry 2004931

2004930 << 2004931 >> 2004932

Preview

Coordinates	2004931.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1,6-anhydro-4-O-benzyl-3-deoxy-4-C-methyl-2-O-methyl-β-D-ribo-hexopyranose
Formula	C15 H20 O4
Calculated formula	C15 H20 O4
SMILES	O1[C@@H]2O[C@@H]([C@@](OCc3ccccc3)(C[C@H]2OC)C)C1
Title of publication	(1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-5-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]octane and (1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-2-methyl-6,8-dioxabicyclo[3.2.1]octane
Authors of publication	Gainsford, G. J.; Tyler, P. C.; Furneaux, R. H.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	5
Pages of publication	1274 - 1277
a	5.934 ± 0.003 Å
b	6.907 ± 0.003 Å
c	32.751 ± 0.018 Å
α	90°
β	90°
γ	90°
Cell volume	1342.3 ± 1.2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0969
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for all reflections	0.1374
Weighted residual factors for significantly intense reflections	0.1131
Goodness-of-fit parameter for all reflections	0.983
Goodness-of-fit parameter for significantly intense reflections	1.094
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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