Crystallography Open Database

Information card for entry 1549712

Preview

Coordinates	1549712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H58 Cl N8 O8
Calculated formula	C42 H79 Cl N2 O8
SMILES	[Cl-].[N+](CCCCCCCCCCC/C=C/C)(C)(C)CC(O)C[N+](C)(C)CCCCCCCCCCCCCC.[O-]C(=O)c1ccccc1O.O.O.O.O
Title of publication	Effects of additives on the viscoelastic responses of cationic gemini surfactant solutions.
Authors of publication	Chen, Xiao-Xiao; Liu, Qi; Guo, Yan; Yan, Hui; Li, Jing; Lv, Dong-Mei; Zhang, Jun-Hong; Liu, Min; Yao, Chun-Hong; Wei, Xi-Lian
Journal of publication	Soft matter
Year of publication	2018
Journal volume	14
Journal issue	32
Pages of publication	6696 - 6707
a	9.2108 ± 0.0008 Å
b	9.4525 ± 0.0008 Å
c	29.308 ± 0.003 Å
α	87.928 ± 0.002°
β	83.132 ± 0.001°
γ	71.201 ± 0.001°
Cell volume	2398.2 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2698
Residual factor for significantly intense reflections	0.1075
Weighted residual factors for significantly intense reflections	0.2672
Weighted residual factors for all reflections included in the refinement	0.3444
Goodness-of-fit parameter for all reflections included in the refinement	0.944
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
230974 (current)	2019-11-17	cif/ Updating files of 1549712 Original log message: Adding full bibliography for 1549712.cif.	1549712.cif
209160	2018-07-20	cif/ Adding structures of 1549712 via cif-deposit CGI script.	1549712.cif