Crystallography Open Database

Information card for entry 7063802

Preview

Coordinates	7063802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 B10
Calculated formula	C34 H28 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	19.322 ± 0.002 Å
b	6.6317 ± 0.0007 Å
c	26.859 ± 0.003 Å
α	90°
β	106.8 ± 0.005°
γ	90°
Cell volume	3294.8 ± 0.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.118
Residual factor for significantly intense reflections	0.0991
Weighted residual factors for significantly intense reflections	0.2916
Weighted residual factors for all reflections included in the refinement	0.3128
Goodness-of-fit parameter for all reflections included in the refinement	1.255
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7063802.html