Information card for entry 4088266

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 ų
• 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 Fobs: No