Crystallography Open Database

Information card for entry 7248924

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Coordinates	7248924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Br N
Calculated formula	C20 H18 Br N
Title of publication	Photosalient effect and photodimerization of mono- and dicationic organic salts incorporated in 4-styrylpyridine
Authors of publication	Kusumoto, Sotaro; Wakabayashi, Kaede; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	28
Pages of publication	3791 - 3794
a	6.8963 ± 0.0002 Å
b	10.2829 ± 0.0003 Å
c	12.8595 ± 0.0004 Å
α	76.412 ± 0.003°
β	83.264 ± 0.002°
γ	70.536 ± 0.003°
Cell volume	834.98 ± 0.05 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	1.192
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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