Crystallography Open Database

Information card for entry 7063803

Preview

Coordinates	7063803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 B10
Calculated formula	C18 H20 B10
Title of publication	Fluoranthene–o-carborane dyads: exploring thermochromism and mechanochromism in crystalline systems
Authors of publication	Li, Na; Wu, Xueyan; Lv, Yan; Chi, Jinxia; Guo, Jixi
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	25
Pages of publication	10530 - 10537
a	10.4697 ± 0.0008 Å
b	24.564 ± 0.002 Å
c	7.2361 ± 0.0006 Å
α	90°
β	92.489 ± 0.003°
γ	90°
Cell volume	1859.2 ± 0.3 Å³
Cell temperature	301 K
Ambient diffraction temperature	301 K
Number of distinct elements	3
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0777
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1282
Weighted residual factors for all reflections included in the refinement	0.1464
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301061 (current)	2025-07-06	cif/ Updating files of 7063802, 7063803 Original log message: Adding full bibliography for 7063802--7063803.cif.	7063803.cif
299684	2025-05-15	cif/ Adding structures of 7063802, 7063803 via cif-deposit CGI script.	7063803.cif