Crystallography Open Database

Information card for entry 1511948

1511947 << 1511948 >> 1511949

Preview

Coordinates	1511948.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C60(CH2SiMe2Hex)2(PhCCCO2Et)
Formula	C151.5 H52 O2 S5 Si2
Calculated formula	C152.5 H52 O2 S5 Si2
Title of publication	Regioselective [2 + 2] Cycloaddition of a Fullerene Dimer with an Alkyne Triggered by Thermolysis of an Interfullerene C‒C Bond
Authors of publication	Xiao, Zuo; Matsuo, Yutaka; Maruyama, Masashi; Nakamura, Eiichi
Journal of publication	Organic Letters
Year of publication	2013
Journal volume	15
Journal issue	9
Pages of publication	2176
a	9.962 Å
b	18.792 Å
c	25.713 Å
α	108.23°
β	94.9°
γ	91.61°
Cell volume	4547.66 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1829
Residual factor for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.3182
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1511948.cif
85835	2013-05-07	cif/ Adding structures of 1511948 via cif-deposit CGI script.	1511948.cif