Crystallography Open Database

Information card for entry 7230423

Preview

Coordinates	7230423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H38 F6 N2 O5 S2
Calculated formula	C27 H38 F6 N2 O5 S2
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	10.5341 ± 0.0002 Å
b	20.31 ± 0.0005 Å
c	38.1037 ± 0.0009 Å
α	80.3923 ± 0.001°
β	83.5583 ± 0.001°
γ	76.8971 ± 0.001°
Cell volume	7805.1 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0948
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.2098
Weighted residual factors for all reflections included in the refinement	0.2363
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7230423.cif
207273	2018-04-10	cif/ Adding structures of 7230421, 7230422, 7230423 via cif-deposit CGI script.	7230423.cif