Crystallography Open Database

Information card for entry 4507705

Preview

Coordinates	4507705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H58 N4 O13
Calculated formula	C28 H58 N4 O13.145
Title of publication	Salts and Ionic Liquid of The Antituberculosis DrugS,S-Ethambutol
Authors of publication	Cherukuvada, Suryanarayan; Nangia, Ashwini
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	4
Pages of publication	1752
a	8.5813 ± 0.0006 Å
b	10.5252 ± 0.0008 Å
c	10.921 ± 0.0008 Å
α	70.626 ± 0.001°
β	68.872 ± 0.001°
γ	73.867 ± 0.001°
Cell volume	853.82 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.0861
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
179613 (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 4/50/77.	4507705.cif
85635	2013-05-07	cif/ Adding structures of 4507705 via cif-deposit CGI script.	4507705.cif