Crystallography Open Database

Information card for entry 7111891

Preview

Coordinates	7111891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H48 N3 O8
Calculated formula	C48 H48 N3 O8
Title of publication	Designing a simple organic salt-based supramolecular topical gel capable of displaying in vivo self-delivery application
Authors of publication	Joydeb Majumder; Jolly Deb; Mahua Rani Das; Siddhartha Sankar Jana; Parthasarathi Dastidar
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	1671
a	23.57 ± 0.004 Å
b	4.8479 ± 0.0008 Å
c	18.554 ± 0.003 Å
α	90°
β	90.115 ± 0.009°
γ	90°
Cell volume	2120.1 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1171
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.2047
Goodness-of-fit parameter for all reflections included in the refinement	1.144
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7111891.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7111891.cif
102840	2014-02-24	cif/ Adding structures of 7111887, 7111888, 7111889, 7111890, 7111891 via cif-deposit CGI script.	7111891.cif