Crystallography Open Database

Information card for entry 4088264

Preview

Coordinates	4088264.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	AKY-490
Formula	C18 H18 F3 O6 P W
Calculated formula	C18 H18 F3 O6 P W
SMILES	[W]([P@@]1(O[C@@H](C1)C(F)(F)F)C1(C(=C(C(=C1C)C)C)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P@]1(O[C@H](C1)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	9.86 ± 0.02 Å
b	14.3 ± 0.03 Å
c	16.92 ± 0.03 Å
α	90°
β	94 ± 0.11°
γ	90°
Cell volume	2380 ± 8 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	0.2554
Residual factor for significantly intense reflections	0.1136
Weighted residual factors for significantly intense reflections	0.2527
Weighted residual factors for all reflections included in the refinement	0.3744
Goodness-of-fit parameter for all reflections included in the refinement	0.852
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.	4088264.cif