Information card for entry 7713944

Structure parameters

• Chemical name: DB-491
• Formula: C27 H24 O5 P2 W
• Calculated formula: C27 H24 O5 P2 W
• SMILES: [W](P([P+](C)(C)C)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: 9.1192 ± 0.0004 Å
• b: 9.4046 ± 0.0005 Å
• c: 16.0948 ± 0.0008 Å
• α: 88.489 ± 0.004°
• β: 76.363 ± 0.004°
• γ: 70.182 ± 0.004°
• Cell volume: 1259.8 ± 0.11 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No