Crystallography Open Database

Information card for entry 7107411

Preview

Coordinates	7107411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C101 H50 N2 O5
Calculated formula	C97.35 H44.0855 N2 O5
Title of publication	Synthesis of a green [60]fullerene derivative through cage-opening reactions
Authors of publication	Liangbing Gan; Shuming Liu; Yuanhua Shao
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	2531
a	32.301 ± 0.007 Å
b	11.246 ± 0.002 Å
c	36.097 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	13112 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0871
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.2215
Weighted residual factors for all reflections included in the refinement	0.236
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
180178 (current)	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/74.	7107411.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7107411.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7107411.cif
32614	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 7107411, 7107412, 7107413 via cif-deposit CGI script.	7107411.cif