Crystallography Open Database

Information card for entry 7061062

Preview

Coordinates	7061062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H52 B
Calculated formula	C52 H45 B
Title of publication	Synthesis, crystal structure, solid-state optical property and C–H activation of sp3 carbon of highly-stable 1-(2′,6′-dimesitylphenyl)-2,3,4,5-tetraphenylborole
Authors of publication	Himeno, Ryoji; Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	48
Pages of publication	22569 - 22573
a	13.652 ± 0.0009 Å
b	12.8989 ± 0.0006 Å
c	12.7196 ± 0.0007 Å
α	90°
β	106.517 ± 0.007°
γ	90°
Cell volume	2147.4 ± 0.2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	3
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1264
Residual factor for significantly intense reflections	0.0796
Weighted residual factors for significantly intense reflections	0.1786
Weighted residual factors for all reflections included in the refinement	0.206
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271863 (current)	2022-01-06	cif/ Updating files of 7061061, 7061062, 7061063 Original log message: Adding full bibliography for 7061061--7061063.cif.	7061062.cif
270592	2021-11-11	cif/ Adding structures of 7061061, 7061062, 7061063 via cif-deposit CGI script.	7061062.cif