Crystallography Open Database

Information card for entry 7238700

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Coordinates	7238700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H25.26 Br N O0.63
Calculated formula	C17 H25.256 Br N O0.628
Title of publication	Quinolinium and isoquinolinium ionic liquid crystals
Authors of publication	Lava, Kathleen; Evrard, Yannick; Hecke, Kristof Van; Meervelt, Luc Van; Binnemans, Koen
Journal of publication	RSC Advances
Year of publication	2012
Journal volume	2
Journal issue	21
Pages of publication	8061
a	9.8423 ± 0.0005 Å
b	13.4447 ± 0.0007 Å
c	13.1983 ± 0.0007 Å
α	90°
β	101.539 ± 0.002°
γ	90°
Cell volume	1711.19 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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