Crystallography Open Database

Information card for entry 1504390

Preview

Coordinates	1504390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H26 O13
Calculated formula	C12 H26 O13
Title of publication	Crystal structure of an anhydrous form of trehalose: structure of water channels of trehalose polymorphism.
Authors of publication	Nagase, H.; Ogawa, N.; Endo, T.; Shiro, M.; Ueda, H.; Sakurai, M.
Journal of publication	The journal of physical chemistry. B
Year of publication	2008
Journal volume	112
Journal issue	30
Pages of publication	9105 - 9111
a	7.5969 ± 0.001 Å
b	12.2305 ± 0.001 Å
c	17.887 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1662 ± 0.5 Å³
Cell temperature	298.1 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 significantly intense reflections	0.0282
Weighted residual factors for all reflections included in the refinement	0.0749
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1504390.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504390.cif
42007	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504390 via cif-deposit CGI script.	1504390.cif