Crystallography Open Database

Information card for entry 1520175

1520174 << 1520175 >> 1520176

Preview

Coordinates	1520175.cif

Structure parameters

Chemical name	L-tartaric acid and 2-imidazolidinone
Formula	C7 H12 N2 O7
Calculated formula	C7 H12 N2 O7
SMILES	C(=O)([C@H]([C@@H](C(=O)O)O)O)O.C1(=O)NCCN1
Title of publication	L-Tartaric acid 2-imidazolidinone
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	527
a	5.388 ± 0.0013 Å
b	9.921 ± 0.003 Å
c	18.265 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	976.3 ± 0.5 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	0.0322
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.6895 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	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	1520175.cif
137622	2015-06-01	cif/ Adding structures of 1520175 via cif-deposit CGI script.	1520175.cif