Crystallography Open Database

Information card for entry 1520246

1520245 << 1520246 >> 1520247

Preview

Coordinates	1520246.cif
External links	PubChem

Structure parameters

Chemical name	DL-Tartaric Acid & Morpholine
Formula	C8 H17 N O8
Calculated formula	C8 H17 N O8
SMILES	C(=O)([C@@H]([C@H](C(=O)[O-])O)O)O.C1COCC[NH2+]1.O.C(=O)([C@H]([C@@H](C(=O)[O-])O)O)O.C1COCC[NH2+]1.O
Title of publication	DL-Tartaric Acid + Morpholine monohydrate
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	455
a	7.6152 ± 0.0007 Å
b	8.2002 ± 0.0011 Å
c	10.1113 ± 0.0012 Å
α	98.68 ± 0.01°
β	106.417 ± 0.008°
γ	105.156 ± 0.008°
Cell volume	567.11 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
301777 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure.	1520246.cif
176428	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.	1520246.cif
137865	2015-06-04	cif/ Adding structures of 1520246 via cif-deposit CGI script.	1520246.cif