Crystallography Open Database

Information card for entry 4084202

Preview

Coordinates	4084202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 O9 P W
Calculated formula	C25 H21 O9 P W
SMILES	[W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P@@]1(c2ccccc2)C=C(C)[C@@]2(C)C1=CCC(=C2C(=O)OC)C(=O)OC.[W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P@]1(c2ccccc2)C=C(C)[C@]2(C)C1=CCC(=C2C(=O)OC)C(=O)OC
Title of publication	Modifying the Chemistry of the Phosphole Dienic System by α-Vinylation
Authors of publication	Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	16
Pages of publication	4245
a	7.8997 ± 0.0002 Å
b	13.3814 ± 0.0004 Å
c	13.989 ± 0.0004 Å
α	66.3596 ± 0.0016°
β	89.6223 ± 0.0016°
γ	74.1012 ± 0.0016°
Cell volume	1293.87 ± 0.07 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	0.0409
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0596
Weighted residual factors for all reflections included in the refinement	0.0636
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178731 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/42.	4084202.cif
123100	2014-09-06	cif/ Updating files of 4084198, 4084199, 4084200, 4084201, 4084202 Original log message: Adding full bibliography for 4084198--4084202.cif.	4084202.cif
122155	2014-08-18	cif/ Adding structures of 4084198, 4084199, 4084200, 4084201, 4084202 via cif-deposit CGI script.	4084202.cif