Crystallography Open Database

Information card for entry 1520169

1520168 << 1520169 >> 1520170

Preview

Coordinates	1520169.cif

Structure parameters

Chemical name	DL-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.C(=O)([C@H]([C@@H](C(=O)O)O)O)O.C1(=O)NCCN1
Title of publication	DL-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	526
a	5.1062 ± 0.0011 Å
b	18.198 ± 0.004 Å
c	10.432 ± 0.002 Å
α	90°
β	97.06 ± 0.002°
γ	90°
Cell volume	962 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0669
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1189
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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.	1520169.cif
137615	2015-06-01	cif/ Adding structures of 1520169 via cif-deposit CGI script.	1520169.cif