Crystallography Open Database

Information card for entry 4105694

Preview

Coordinates	4105694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C145 H24 S6
Calculated formula	C145 H24 S6
Title of publication	Aziridinofullerene: A Versatile Platform for Functionalized Fullerenes
Authors of publication	Masakazu Nambo; Yasutomo Segawa; Kenichiro Itami
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	2402 - 2405
a	9.976 ± 0.003 Å
b	37.485 ± 0.013 Å
c	10.185 ± 0.004 Å
α	90°
β	95.426 ± 0.004°
γ	90°
Cell volume	3792 ± 2 Å³
Cell temperature	103.15 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1291
Residual factor for significantly intense reflections	0.0846
Weighted residual factors for significantly intense reflections	0.1865
Weighted residual factors for all reflections included in the refinement	0.2144
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178802 (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 4/10/56.	4105694.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105694.cif
52455	2012-04-11	../uploads/cif-deposit/cod/cif Adding structures of 4105694 via cif-deposit CGI script.	4105694.cif