Crystallography Open Database

Information card for entry 7227651

Preview

Coordinates	7227651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H14 F12
Calculated formula	C24 H14 F12
SMILES	c1(c(c2c(c3c(cc(c4c(cc(C)c2c34)C(F)(F)F)C(F)(F)F)C)c(c1C(F)(F)F)C)C)C(F)(F)F
Title of publication	Solid state structures of fluorine-rich fluoranthenes
Authors of publication	Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	9
Pages of publication	1328
a	12.479 ± 0.002 Å
b	11.3269 ± 0.0019 Å
c	29.181 ± 0.005 Å
α	90°
β	101.941 ± 0.002°
γ	90°
Cell volume	4035.4 ± 1.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1387
Weighted residual factors for all reflections included in the refinement	0.1453
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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