Crystallography Open Database

Information card for entry 4503137

Preview

Coordinates	4503137.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1-deoxylactose
Formula	C12 H22 O10
Calculated formula	C12 H22 O10
SMILES	O1C[C@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO)[C@H]1CO
Title of publication	Effect of 1-Deoxy-d-lactose upon the Crystallization ofd-Lactose
Authors of publication	Guiry, Kevin P.; Coles, Simon J.; Moynihan, Humphrey A.; Lawrence, Simon E.
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	11
Pages of publication	3927
a	4.693 ± 0.0001 Å
b	19.9373 ± 0.0004 Å
c	7.5503 ± 0.0002 Å
α	90°
β	103.159 ± 0.001°
γ	90°
Cell volume	687.9 ± 0.03 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.03
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
179562 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/31.	4503137.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503137.cif
41373	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503137, 4503138 via cif-deposit CGI script.	4503137.cif