Crystallography Open Database

Information card for entry 4082175

Preview

Coordinates	4082175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H23 O6 P W
Calculated formula	C32 H23 O6 P W
SMILES	[W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P@]1(c2ccccc2)C=C(C)[C@@]2(C)C(=C(C(=O)[C@@H]12)c1ccccc1)c1ccccc1.[W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P@@]1(c2ccccc2)C=C(C)[C@]2(C)C(=C(C(=O)[C@H]12)c1ccccc1)c1ccccc1
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	14.8561 ± 0.0003 Å
b	18.8634 ± 0.0004 Å
c	10.393 ± 0.0002 Å
α	90°
β	105.51 ± 0.001°
γ	90°
Cell volume	2806.44 ± 0.1 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	0.0382
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0524
Weighted residual factors for all reflections included in the refinement	0.0563
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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.	4082175.cif
92214	2014-01-12	cif/ Adding structures of 4082175, 4082176, 4082177, 4082178 via cif-deposit CGI script.	4082175.cif