Crystallography Open Database

Information card for entry 4088266

Preview

Coordinates	4088266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 F6 O6 P W
Calculated formula	C19 H17 F6 O6 P W
SMILES	[W]([P]1(OC(C1)(C(F)(F)F)C(F)(F)F)C1(C(=C(C(=C1C)C)C)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	C-Trifluoromethyl-Substituted 1,2-Oxaphosphetane Complexes: Synthetic and Structural Study
Authors of publication	Kyri, Andreas W.; Schnakenburg, Gregor; Streubel, Rainer
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	4
Pages of publication	563
a	12.323 ± 0.0007 Å
b	14.0254 ± 0.0007 Å
c	16.2599 ± 0.0007 Å
α	90°
β	125.699 ± 0.003°
γ	90°
Cell volume	2282.2 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.0191
Residual factor for significantly intense reflections	0.0171
Weighted residual factors for significantly intense reflections	0.0413
Weighted residual factors for all reflections included in the refinement	0.0422
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
237423 (current)	2019-11-24	cif/ Adding structures of 4088262, 4088263, 4088264, 4088265, 4088266 via cif-deposit CGI script.	4088266.cif