Crystallography Open Database

Information card for entry 1507474

Preview

Coordinates	1507474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C134 H28 Cl12 O6 P2
Calculated formula	C134 H28 Cl12 O6 P2
Title of publication	Synthesis, X-ray Structure, and Properties of the Singly Bonded C60Dimer Having Diethoxyphosphorylmethyl Groups Utilizing the Chemistry of C602-
Authors of publication	Cheng, Fuyong; Murata, Yasujiro; Komatsu, Koichi
Journal of publication	Organic Letters
Year of publication	2002
Journal volume	4
Journal issue	15
Pages of publication	2541
a	19.81 ± 0.003 Å
b	15.45 ± 0.002 Å
c	28.723 ± 0.004 Å
α	90°
β	101.23 ± 0.005°
γ	90°
Cell volume	8623 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1344
Residual factor for significantly intense reflections	0.0988
Weighted residual factors for significantly intense reflections	0.2564
Weighted residual factors for all reflections included in the refinement	0.2822
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507474.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507474.cif
53995	2012-04-20	cif/ Adding structures of 1507474 via cif-deposit CGI script.	1507474.cif