Crystallography Open Database

Information card for entry 8102289

Preview

Coordinates	8102289.cif

Structure parameters

Chemical name	2,3-di-O-acetyl-5,6-dideoxy-a-D-lyxo-5-hexenofuranose
Formula	C10 H14 O6
Calculated formula	C10 H14 O6
Title of publication	Crystal structure of 2,3-di-O-acetyl-5,6-dideoxy-α-D-lyxo-5-hexenofuranose, C10H14O6
Authors of publication	Wolfgang Frey; Robert Sardzik; Volker Jäger
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	3
Pages of publication	253
a	8.1953 ± 0.0018 Å
b	8.6724 ± 0.0019 Å
c	8.4792 ± 0.0013 Å
α	90°
β	101.021 ± 0.014°
γ	90°
Cell volume	591.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1231
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102289.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102289.cif
13028	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102289 via cif-deposit CGI script.	8102289.cif