Crystallography Open Database

Information card for entry 1520172

1520171 << 1520172 >> 1520173

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Coordinates	1520172.cif

Structure parameters

Chemical name	Maleic acid + morpholine
Formula	C10 H17 N O5
Calculated formula	C10 H17 N O5
SMILES	C(=O)(CC(C(=O)OC)N1CCOCC1)OC
Title of publication	Maleic 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	500
a	5.7683 ± 0.0009 Å
b	13.702 ± 0.003 Å
c	14.442 ± 0.003 Å
α	90°
β	97.458 ± 0.011°
γ	90°
Cell volume	1131.8 ± 0.4 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	0.28
Residual factor for significantly intense reflections	0.1456
Weighted residual factors for significantly intense reflections	0.2528
Weighted residual factors for all reflections included in the refinement	0.3147
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
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.	1520172.cif
137619	2015-06-01	cif/ Adding structures of 1520172 via cif-deposit CGI script.	1520172.cif