Crystallography Open Database

Information card for entry 4109186

Preview

Coordinates	4109186.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C60(C6H4CCSiMe2Bu)5Me
Formula	C131 H98 Si5
Calculated formula	C131 H98 Si5
Title of publication	Lamellar Assembly of Conical Molecules Possessing a Fullerene Apex in Crystals and Liquid Crystals
Authors of publication	Yu-Wu Zhong; Yutaka Matsuo; Eiichi Nakamura
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	3052 - 3053
a	18.546 Å
b	17.643 Å
c	32.427 Å
α	90°
β	100.44°
γ	90°
Cell volume	10434.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	3
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	0.2582
Residual factor for significantly intense reflections	0.182
Weighted residual factors for significantly intense reflections	0.4432
Weighted residual factors for all reflections included in the refinement	0.5014
Goodness-of-fit parameter for all reflections included in the refinement	1.598
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178837 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/91.	4109186.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109186.cif
57941	2012-05-23	cif/ Adding structures of 4109186 via cif-deposit CGI script.	4109186.cif