Crystallography Open Database

Information card for entry 7248926

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Coordinates	7248926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H41 Br2 N2 O1.5
Calculated formula	C38 H41 Br2 N2 O1.5
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	12.1902 ± 0.0004 Å
b	15.9154 ± 0.0005 Å
c	18.7119 ± 0.0007 Å
α	69.469 ± 0.003°
β	73.203 ± 0.003°
γ	89.616 ± 0.003°
Cell volume	3236.5 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.096
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1386
Weighted residual factors for all reflections included in the refinement	0.1566
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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