Crystallography Open Database

Information card for entry 4507584

Preview

Coordinates	4507584.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Aceclofenac-piperazine(0.5)
Formula	C18 H18 Cl2 N2 O4
Calculated formula	C18 H18 Cl2 N2 O4
Title of publication	Solubility and Stability Advantage of Aceclofenac Salts
Authors of publication	Goud, N. Rajesh; Suresh, Kuthuru; Nangia, Ashwini
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	4
Pages of publication	1590
a	9.1898 ± 0.0011 Å
b	5.5983 ± 0.0007 Å
c	34.89 ± 0.004 Å
α	90°
β	94.038 ± 0.002°
γ	90°
Cell volume	1790.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
179611 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/75.	4507584.cif
85583	2013-05-07	cif/ Adding structures of 4507584 via cif-deposit CGI script.	4507584.cif