Crystallography Open Database

Information card for entry 1520245

1520244 << 1520245 >> 1520246

Preview

Coordinates	1520245.cif

Structure parameters

Chemical name	DL-Tartaric Acid & imidazole
Formula	C7 H10 N2 O6
Calculated formula	C7 H10 N2 O6
SMILES	O=C([O-])[C@H](O)[C@@H](O)C(=O)O.[nH]1c[nH+]cc1.O=C([O-])[C@@H](O)[C@H](O)C(=O)O.[nH]1c[nH+]cc1
Title of publication	Imidazolium DL-Tartrate
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	453
a	25.065 ± 0.005 Å
b	4.9767 ± 0.001 Å
c	19.142 ± 0.004 Å
α	90°
β	129.42 ± 0.03°
γ	90°
Cell volume	1844.6 ± 1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2794
Residual factor for significantly intense reflections	0.0993
Weighted residual factors for significantly intense reflections	0.1418
Weighted residual factors for all reflections included in the refinement	0.1972
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520245.cif
137864	2015-06-04	cif/ Adding structures of 1520245 via cif-deposit CGI script.	1520245.cif