Crystallography Open Database

Information card for entry 4028037

Preview

Coordinates	4028037.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Hexakis(5-Bpinfuran-2-yl)benzene
Chemical name	Hexakis[5-(4,4,5,5-tetramethyl-1,3,2-dioxaboryl)-2-furyl]benzene
Formula	C80 H100 B6 O18
Calculated formula	C80 H100 B6 O18
Title of publication	Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives
Authors of publication	Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	2763 - 2768
a	16.951 ± 0.002 Å
b	25.304 ± 0.003 Å
c	19.179 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	8226.4 ± 1.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0754
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.1916
Weighted residual factors for all reflections included in the refinement	0.1961
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178459 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/80.	4028037.cif
94088	2014-01-21	cif/ Adding structures of 4028037 via cif-deposit CGI script.	4028037.cif