Crystallography Open Database

Information card for entry 4028033

Preview

Coordinates	4028033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H36 F18 O6
Calculated formula	C72 H36 F18 O6
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	12.015 ± 0.004 Å
b	15.895 ± 0.005 Å
c	16.253 ± 0.005 Å
α	90°
β	105.595 ± 0.004°
γ	90°
Cell volume	2989.7 ± 1.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
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	0.0834
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1788
Weighted residual factors for all reflections included in the refinement	0.1916
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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.	4028033.cif
94084	2014-01-21	cif/ Adding structures of 4028033 via cif-deposit CGI script.	4028033.cif