Crystallography Open Database

Information card for entry 4084199

Preview

Coordinates	4084199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 O5 P W
Calculated formula	C19 H15 O5 P W
SMILES	[W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P]1(C(=C(C)C(=C1)C)C=C)c1ccccc1
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	9.346 ± 0.0007 Å
b	9.0127 ± 0.0005 Å
c	22.249 ± 0.0014 Å
α	90°
β	93.896 ± 0.004°
γ	90°
Cell volume	1869.8 ± 0.2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0733
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1359
Goodness-of-fit parameter for all reflections included in the refinement	1.227
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178730 (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 4/08/41.	4084199.cif
123100	2014-09-06	cif/ Updating files of 4084198, 4084199, 4084200, 4084201, 4084202 Original log message: Adding full bibliography for 4084198--4084202.cif.	4084199.cif
122155	2014-08-18	cif/ Adding structures of 4084198, 4084199, 4084200, 4084201, 4084202 via cif-deposit CGI script.	4084199.cif