Information card for entry 7714922

Structure parameters

• Chemical name: DB-550
• Formula: C26 H16 F3 O7 P W
• Calculated formula: C26 H16 F3 O7 P W
• SMILES: [W]([PH](OC(=O)C(F)(F)F)C(c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Access to ligand-stabilized PH-containing phosphenium complexes.
• Authors of publication: Biskup, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2517 - 2525
• a: 11.7247 ± 0.0003 Å
• b: 11.0478 ± 0.0004 Å
• c: 19.569 ± 0.0005 Å
• α: 90°
• β: 95.179 ± 0.002°
• γ: 90°
• Cell volume: 2524.47 ± 0.13 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0923
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.2016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No