Crystallography Open Database

Information card for entry 4109279

Preview

Coordinates	4109279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C134 H44
Calculated formula	C134 H44
Title of publication	A Double Concave Hydrocarbon Buckycatcher
Authors of publication	Andrzej Sygula; Frank R. Fronczek; Renata Sygula; Peter W. Rabideau; Marilyn M. Olmstead
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	3842 - 3843
a	9.773 ± 0.0015 Å
b	22.253 ± 0.003 Å
c	17.334 ± 0.003 Å
α	90°
β	98.202 ± 0.007°
γ	90°
Cell volume	3731.2 ± 1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	2
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.098
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.157
Weighted residual factors for all reflections included in the refinement	0.178
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
178838 (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 4/10/92.	4109279.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109279.cif
58043	2012-05-23	cif/ Adding structures of 4109279 via cif-deposit CGI script.	4109279.cif