Crystallography Open Database

Information card for entry 1520196

1520195 << 1520196 >> 1520197

Preview

Coordinates	1520196.cif

Structure parameters

Chemical name	Pimelic acid & 2-imidazolidinone
Formula	C5 H9 N O2.5
Calculated formula	C5 H9 N O2.5
Title of publication	pimelic 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	499
a	6.8156 ± 0.0006 Å
b	12.7537 ± 0.0012 Å
c	14.1899 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1233.44 ± 0.19 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0896
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1285
Goodness-of-fit parameter for all reflections included in the refinement	1.17
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1520196.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.	1520196.cif
137655	2015-06-02	cif/ Adding structures of 1520196 via cif-deposit CGI script.	1520196.cif