Crystallography Open Database

Information card for entry 1520155

1520154 << 1520155 >> 1520156

Preview

Coordinates	1520155.cif

Structure parameters

Chemical name	L-Tartaric Acid and 4-Methylimidazole
Formula	C8 H12 N2 O6
Calculated formula	C8 H12 N2 O6
SMILES	C(=O)([C@@H]([C@H](C(=O)[O-])O)O)O.c1[nH]cc(C)[nH+]1
Title of publication	4-Methylimidazolium L-tartrate
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	525
a	7.5842 ± 0.0014 Å
b	8.2124 ± 0.0016 Å
c	32.363 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2015.7 ± 0.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	0.671 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
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.	1520155.cif
137596	2015-06-01	cif/ Adding structures of 1520155 via cif-deposit CGI script.	1520155.cif