Crystallography Open Database

Information card for entry 4082176

Preview

Coordinates	4082176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 O6 P W
Calculated formula	C19 H15 O6 P W
SMILES	[W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C(C1=C(C)C(=CP1c1ccccc1)C)OC
Title of publication	Annelation of Phosphole-Substituted Fischer Carbene Complexes by Alkynes
Authors of publication	Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	24
Pages of publication	7482
a	12.0588 ± 0.0011 Å
b	10.7193 ± 0.0009 Å
c	15.8075 ± 0.0014 Å
α	90°
β	104.875 ± 0.002°
γ	90°
Cell volume	1974.8 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0332
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0513
Weighted residual factors for all reflections included in the refinement	0.0544
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
178710 (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 4/08/21.	4082176.cif
92214	2014-01-12	cif/ Adding structures of 4082175, 4082176, 4082177, 4082178 via cif-deposit CGI script.	4082176.cif