Crystallography Open Database

Information card for entry 7244254

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Coordinates	7244254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H14 F4 N2
Calculated formula	C27 H14 F4 N2
SMILES	Fc1c(c(F)c(F)c(c1F)C#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)C#N
Title of publication	D–π–A-type fluorinated tolanes with a diphenylamino group: crystal polymorphism formation and photophysical behavior
Authors of publication	Yamada, Shigeyuki; Kobayashi, Kazuki; Morita, Masato; Konno, Tsutomu
Journal of publication	CrystEngComm
Year of publication	2022
a	7.166 ± 0.0003 Å
b	21.8984 ± 0.0007 Å
c	13.6849 ± 0.0004 Å
α	90°
β	97.476 ± 0.003°
γ	90°
Cell volume	2129.23 ± 0.13 Å³
Cell temperature	297 K
Ambient diffraction temperature	297 K
Number of distinct elements	4
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	0.0518
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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