Information card for entry 7713945

Structure parameters

• Chemical name: DB-495
• Formula: C30 H30 O5 P2 W
• Calculated formula: C30 H30 O5 P2 W
• SMILES: [W](P([P+](CC)(CC)CC)C(c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: A novel access to phosphanylidene-phosphorane complexes via P-donor substitution and a detailed bonding analysis
• Authors of publication: Biskup, David; Schnakenburg, Gregor; Boeré, René; Espinosa Ferao, Arturo; Streubel, R.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.5507 ± 0.0004 Å
• b: 14.6045 ± 0.0005 Å
• c: 20.9543 ± 0.0007 Å
• α: 90°
• β: 101.082 ± 0.001°
• γ: 90°
• Cell volume: 2868.27 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0206
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No