Crystallography Open Database

Information card for entry 7057822

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Coordinates	7057822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H13 F6 N
Calculated formula	C27 H13 F6 N
Title of publication	Photophysical studies of pyrenyl cyanostyrenes: effect of trifluoromethyl substitution on gelation
Authors of publication	Katla, Jagadish; Ojha, Abhijeet; Nair, Akshay J. M.; Rangan, Krishnan; Kanvah, Sriram
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	22
Pages of publication	18297
a	8.9151 ± 0.0002 Å
b	13.3283 ± 0.0003 Å
c	33.8692 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4024.44 ± 0.15 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0849
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for significantly intense reflections	0.2186
Weighted residual factors for all reflections included in the refinement	0.2251
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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