Crystallography Open Database

Information card for entry 7115389

Preview

Coordinates	7115389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H15 F N O4 P W
Calculated formula	C26 H15 F N O4 P W
SMILES	c1(cc(cc2[p]1[W](C#[O])(C#[O])(C#[O])(C#[O])[n]1c2cccc1)c1ccc(cc1)F)c1ccccc1
Title of publication	Tuning the electronic effects of aromatic phosphorus heterocycles: an unprecedented phosphinine with significant P(pi)-donor properties
Authors of publication	Antonia Loibl; Iris de Krom; Evgeny A. Pidko; Manuela Weber; Jelena Wiecko; Christian Muller
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	8842
a	15.8144 ± 0.0016 Å
b	19.0204 ± 0.0017 Å
c	7.3213 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2202.2 ± 0.4 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1122
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	0.944
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
180267 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/53.	7115389.cif
124270	2014-09-26	cif/ Adding structures of 7115389 via cif-deposit CGI script.	7115389.cif