Crystallography Open Database

Information card for entry 7061180

Preview

Coordinates	7061180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H35 N2 O21
Calculated formula	C46 H35 N2 O21
Title of publication	Two new photochromic supramolecular compositions based on viologen: photocontrolled fluorescence, aniline detection and inkless erasable printing performance
Authors of publication	Zhu, Bai-Li; Jin, Yun-Peng; Jiang, Jian; Zuo, Ming-Hui; Cui, Shu-Xin
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	4
Pages of publication	1905 - 1911
a	9.6809 ± 0.0014 Å
b	15.526 ± 0.002 Å
c	13.6809 ± 0.0017 Å
α	90°
β	94.407 ± 0.003°
γ	90°
Cell volume	2050.2 ± 0.5 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
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	0.2066
Residual factor for significantly intense reflections	0.0896
Weighted residual factors for significantly intense reflections	0.1823
Weighted residual factors for all reflections included in the refinement	0.2192
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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/7061180.html