Crystallography Open Database

Information card for entry 1503081

Preview

Coordinates	1503081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 O13 P2 W2
Calculated formula	C20 H12 O13 P2 W2
SMILES	[W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P]1(CC=CC=CO1)O[P]1([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])CC=CC=CO1
Title of publication	From furans to phosphinines.
Authors of publication	Mao, Yanli; Mathey, Francois
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	15
Pages of publication	3384 - 3385
a	10.0533 ± 0.0004 Å
b	10.6263 ± 0.0004 Å
c	13.1213 ± 0.0005 Å
α	66.685 ± 0.002°
β	78.952 ± 0.001°
γ	84.021 ± 0.001°
Cell volume	1262.8 ± 0.09 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0303
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.064
Goodness-of-fit parameter for all reflections included in the refinement	1.155
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1503081.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503081.cif
36996	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503081 via cif-deposit CGI script.	1503081.cif