Crystallography Open Database

Information card for entry 1515344

Preview

Coordinates	1515344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H86 Cl2 N2 O2
Calculated formula	C39 H86 Cl2 N2 O2
SMILES	[Cl-].[Cl-].[N+](CC(O)C[N+](C)(C)CCCCCCCCCCCCCCCC)(C)(C)CCCCCCCCCCCCCCCC.O
Title of publication	Phase and rheological behavior of a gemini cationic surfactant aqueous system
Authors of publication	Wei, Xi-Lian; Wang, Xiu-Hong; Sun, De-Zhi; Liu, Ji-Feng; Liu, Jie; Sha, Yu-Hong; Wang, Zhong-Ni
Journal of publication	Soft Matter
Year of publication	2012
Journal volume	8
Journal issue	39
Pages of publication	10115
a	27.977 ± 0.003 Å
b	9.5824 ± 0.0009 Å
c	17.1634 ± 0.0015 Å
α	90°
β	102.438 ± 0.002°
γ	90°
Cell volume	4493.3 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.2465
Residual factor for significantly intense reflections	0.0838
Weighted residual factors for significantly intense reflections	0.1673
Weighted residual factors for all reflections included in the refinement	0.2094
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515344.cif
111143	2014-04-20	cif/ Adding structures of 1515343, 1515344 via cif-deposit CGI script.	1515344.cif