Crystallography Open Database

Information card for entry 1520281

1520280 << 1520281 >> 1520282

Preview

Coordinates	1520281.cif
External links	PubChem

Structure parameters

Chemical name	Oxalic acid & morpholine
Formula	C10 H20 N2 O6
Calculated formula	C10 H20 N2 O6
SMILES	[O-]C(=O)C(=O)[O-].O1CC[NH2+]CC1.O1CC[NH2+]CC1
Title of publication	oxalic acid+morpholine
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	440
a	9.6872 ± 0.0005 Å
b	6.5461 ± 0.0003 Å
c	10.8209 ± 0.0005 Å
α	90°
β	102.698 ± 0.003°
γ	90°
Cell volume	669.41 ± 0.06 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	0.0332
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0683
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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.	1520281.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.	1520281.cif
137911	2015-06-04	cif/ Adding structures of 1520281 via cif-deposit CGI script.	1520281.cif