Crystallography Open Database

Information card for entry 7248925

Preview

Coordinates	7248925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 Br2 N2 O2
Calculated formula	C40 H40 Br2 N2 O2
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	9.6895 ± 0.0003 Å
b	9.7559 ± 0.0004 Å
c	10.9467 ± 0.0003 Å
α	97.487 ± 0.003°
β	105.034 ± 0.003°
γ	118.199 ± 0.004°
Cell volume	840.99 ± 0.07 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	0.0415
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0741
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7248925.html