Crystallography Open Database

Information card for entry 7052440

Preview

Coordinates	7052440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H24 F4
Calculated formula	C19 H24 F4
SMILES	c1(c(c(c2c(c1)CC(C2(F)F)C1CCC(CC1)CCC)F)F)C
Title of publication	1,1,6,7-Tetrafluoroindanes: improved liquid crystals for LCD-TV application
Authors of publication	Bremer, Matthias; Lietzau, Lars
Journal of publication	New Journal of Chemistry
Year of publication	2005
Journal volume	29
Journal issue	1
Pages of publication	72
a	8.961 ± 0.001 Å
b	9.253 ± 0.001 Å
c	11.405 ± 0.002 Å
α	109.38 ± 0.01°
β	103.19 ± 0.01°
γ	96.75 ± 0.01°
Cell volume	849.1 ± 0.2 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1287
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1181
Weighted residual factors for all reflections included in the refinement	0.1486
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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