Crystallography Open Database

Information card for entry 7058274

Preview

Coordinates	7058274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H17 N O9
Calculated formula	C18 H17 N O9
Title of publication	Photochromism of supramolecular assemblies based on benzenecarboxylate donors and viologen acceptors
Authors of publication	Liu, Jin-jian; Li, Jing; Zhao, Guo-zheng
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	17
Pages of publication	6607
a	9.4575 ± 0.0006 Å
b	9.6725 ± 0.0006 Å
c	9.7995 ± 0.0007 Å
α	94.996 ± 0.002°
β	97.741 ± 0.002°
γ	95.46 ± 0.002°
Cell volume	879.69 ± 0.1 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1347
Weighted residual factors for all reflections included in the refinement	0.1383
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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