Crystallography Open Database

Information card for entry 4028038

Preview

Structure parameters

Chemical name	Hexakis(5-phenylfuran-2-yl)benzene
Formula	C72 H56 O6
Calculated formula	C72 H56 O6
SMILES	o1c(c2c(c3oc(cc3)c3ccccc3)c(c3oc(cc3)c3ccccc3)c(c3oc(cc3)c3ccccc3)c(c3oc(cc3)c3ccccc3)c2c2oc(cc2)c2ccccc2)ccc1c1ccccc1.CCCCCC
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	26.337 ± 0.011 Å
b	11.923 ± 0.005 Å
c	34.985 ± 0.014 Å
α	90°
β	96.567 ± 0.005°
γ	90°
Cell volume	10914 ± 8 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.12
Residual factor for significantly intense reflections	0.1049
Weighted residual factors for significantly intense reflections	0.2362
Weighted residual factors for all reflections included in the refinement	0.2461
Goodness-of-fit parameter for all reflections included in the refinement	1.244
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4028038.html