Crystallography Open Database

Information card for entry 7248927

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Coordinates	7248927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H82 Br4 N4 O3
Calculated formula	C76 H82 Br4 N4 O3
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	12.277 ± 0.0005 Å
b	16.0596 ± 0.0007 Å
c	18.7305 ± 0.0015 Å
α	68.905 ± 0.006°
β	71.723 ± 0.006°
γ	89.945 ± 0.003°
Cell volume	3245.5 ± 0.4 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	0.1732
Residual factor for significantly intense reflections	0.0939
Weighted residual factors for significantly intense reflections	0.202
Weighted residual factors for all reflections included in the refinement	0.241
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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