Crystallography Open Database

Information card for entry 7061061

Preview

Coordinates	7061061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19.33 H17 B0.33
Calculated formula	C19.3333 H17 B0.333333
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	13.734 ± 0.006 Å
b	12.91 ± 0.006 Å
c	12.794 ± 0.006 Å
α	90°
β	105.017 ± 0.009°
γ	90°
Cell volume	2191 ± 1.7 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.1622
Residual factor for significantly intense reflections	0.0722
Weighted residual factors for significantly intense reflections	0.1418
Weighted residual factors for all reflections included in the refinement	0.1752
Goodness-of-fit parameter for all reflections included in the refinement	0.935
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.	7061061.cif
270592	2021-11-11	cif/ Adding structures of 7061061, 7061062, 7061063 via cif-deposit CGI script.	7061061.cif