Information card for entry 4088264

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 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: 0.2554
• 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 Fobs: No