Crystallography Open Database

Information card for entry 4507585

Preview

Coordinates	4507585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H36 Cl4 N4 O9
Calculated formula	C42 H36 Cl4 N4 O9
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	7.5085 ± 0.0005 Å
b	11.9908 ± 0.0008 Å
c	22.2488 ± 0.0015 Å
α	90°
β	91.569 ± 0.001°
γ	90°
Cell volume	2002.4 ± 0.2 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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.	4507585.cif
85584	2013-05-07	cif/ Adding structures of 4507585 via cif-deposit CGI script.	4507585.cif