Crystallography Open Database

Information card for entry 1503080

Preview

Coordinates	1503080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H6 Cl O6 P W
Calculated formula	C10 H6 Cl O6 P W
SMILES	[W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P@@]1([C@H]2C=C[C@@H](C1)O2)Cl
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	6.7284 ± 0.0011 Å
b	19.087 ± 0.003 Å
c	10.4396 ± 0.0017 Å
α	90°
β	94.175 ± 0.009°
γ	90°
Cell volume	1337.1 ± 0.4 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0835
Residual factor for significantly intense reflections	0.0746
Weighted residual factors for significantly intense reflections	0.1808
Weighted residual factors for all reflections included in the refinement	0.1913
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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.	1503080.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503080.cif
36995	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503080 via cif-deposit CGI script.	1503080.cif