Crystallography Open Database

Information card for entry 7057292

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Coordinates	7057292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H14 N2
Calculated formula	C23 H14 N2
Title of publication	A pyrene-benzimidazole composed effective fluoride sensor: potential mimicking of a Boolean logic gate
Authors of publication	Kushwaha, Archana; Patil, Sagar K.; Das, Dipanwita
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	11
Pages of publication	9200
a	8.7873 ± 0.0001 Å
b	9.6637 ± 0.0001 Å
c	36.9535 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3138.01 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
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	0.0555
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0991
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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