Crystallography Open Database

Information card for entry 2300264

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Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H22 O11
Calculated formula	C12 H22 O11
SMILES	O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@@]1(O[C@H](CO)[C@@H](O)[C@@H]1O)CO)CO
Title of publication	X-ray diffraction study of a pseudo single crystal prepared from a crystal belonging to point group 2
Authors of publication	Kimura, Fumiko; Kimura, Tsunehisa; Oshima, Wataru; Maeyama, Masataka; Aburaya, Kazuaki
Journal of publication	Journal of Applied Crystallography
Year of publication	2010
Journal volume	43
Journal issue	1
Pages of publication	151 - 153
a	7.7735 ± 0.0012 Å
b	8.7169 ± 0.0013 Å
c	10.8765 ± 0.0017 Å
α	90°
β	102.936 ± 0.004°
γ	90°
Cell volume	718.3 ± 0.19 Å³
Cell temperature	293.1 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 significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.1725
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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