Crystallography Open Database

Information card for entry 1569322

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Coordinates	1569322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 Cl2 N2 O2
Calculated formula	C28 H24 Cl2 N2 O2
Title of publication	Isomerization-induced fluorescence enhancement of two new viologen derivatives: mechanism insight and DFT calculations
Authors of publication	Yin, Xiuping; Li, Xinxing; Li, Xuyi; Biczysko, Malgorzata; Zhu, Shourong; Xu, Jiaqiang; Bai, Yue-Ling
Journal of publication	Chemical Science
Year of publication	2023
Journal volume	14
Journal issue	25
Pages of publication	7016 - 7025
a	26.4051 ± 0.0017 Å
b	11.762 ± 0.0006 Å
c	28.6519 ± 0.0012 Å
α	90°
β	110.083 ± 0.002°
γ	90°
Cell volume	8357.5 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1356
Residual factor for significantly intense reflections	0.0937
Weighted residual factors for significantly intense reflections	0.2294
Weighted residual factors for all reflections included in the refinement	0.2534
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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