Crystallography Open Database

Information card for entry 7230421

Preview

Coordinates	7230421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H41 N O4 S
Calculated formula	C25 H41 N O4 S
Title of publication	Effect of counter ions on the mesogenic ionic N-phenylpyridiniums
Authors of publication	Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	18
Pages of publication	2593
a	57.9542 ± 0.0014 Å
b	8.3909 ± 0.0002 Å
c	10.5626 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5136.5 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0305
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229100 (current)	2019-11-17	cif/ Updating files of 7230421, 7230422, 7230423 Original log message: Adding full bibliography for 7230421--7230423.cif.	7230421.cif
207273	2018-04-10	cif/ Adding structures of 7230421, 7230422, 7230423 via cif-deposit CGI script.	7230421.cif