Crystallography Open Database

Information card for entry 7121266

Preview

Coordinates	7121266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H32 F12
Calculated formula	C58 H32 F12
Title of publication	Tetrabenzo-Chichibabin's hydrocarbons: substituent effects and unusual thermochromic and thermomagnetic behaviours.
Authors of publication	Jiang, Chuanling; Bang, Yawen; Wang, Xinhao; Lu, Xuefeng; Lim, Zhenglong; Wei, Haipeng; El-Hankari, Samir; Wu, Jishan; Zeng, Zebing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	19
Pages of publication	2389 - 2392
a	13.8363 ± 0.0003 Å
b	19.0251 ± 0.0004 Å
c	10.7855 ± 0.0002 Å
α	90°
β	97.886 ± 0.002°
γ	90°
Cell volume	2812.29 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
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	0.1114
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.2278
Weighted residual factors for all reflections included in the refinement	0.2551
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228259 (current)	2019-11-17	cif/ Updating files of 7121266, 7121267, 7121268, 7121269 Original log message: Adding full bibliography for 7121266--7121269.cif.	7121266.cif
206377	2018-02-13	cif/ Adding structures of 7121266, 7121267, 7121268, 7121269 via cif-deposit CGI script.	7121266.cif