Information card for entry 7712364

Structure parameters

• Formula: C26 H56 B3 P3
• Calculated formula: C26 H56 B3 P3
• SMILES: [P]1(C(C)(C)C)(C(C)(C)C)[BH2][P](C(C)(C)C)(c2ccccc2)[BH2][P](C(C)(C)C)(C(C)(C)C)[BH2]1
• Title of publication: Reactivity of triphosphinoboranes towards H3B∙SMe2: Access to derivatives of boraphosphacycloalkanes with diversified substituents
• Authors of publication: Ordyszewska, Anna; Chojnacki, Jarosław; Grubba, Rafał
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 19.778 ± 0.004 Å
• b: 8.6662 ± 0.001 Å
• c: 20.415 ± 0.004 Å
• α: 90°
• β: 118.914 ± 0.013°
• γ: 90°
• Cell volume: 3063 ± 1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• 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: 0.2738
• Residual factor for significantly intense reflections: 0.1179
• Weighted residual factors for significantly intense reflections: 0.2506
• Weighted residual factors for all reflections included in the refinement: 0.3517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No