Information card for entry 1559844

Structure parameters

• Formula: C10 H20 B P
• Calculated formula: C10 H20 B P
• SMILES: [PH2]([BH3])C12CC3CC(C1)CC(C2)C3
• Title of publication: High Molar Mass Poly(alkylphosphinoboranes) via Iron-Catalyzed Dehydropolymerization
• Authors of publication: Resendiz-Lara, Diego A.; Annibale, Vincent T.; Knights, Alastair W.; Chitnis, Saurabh S.; Manners, Ian
• Journal of publication: Macromolecules
• Year of publication: 2020
• a: 9.2496 ± 0.0004 Å
• b: 10.5381 ± 0.0004 Å
• c: 21.9181 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2136.43 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.86 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No