Information card for entry 4324454

Structure parameters

• Formula: C23 H38 B P
• Calculated formula: C23 H38 B P
• SMILES: [P+]1(C2(c3ccccc3C1)C1CCCC2CCC1)(C(C)(C)[BH3])C(C)(C)C
• Title of publication: Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes
• Authors of publication: Zachariah M. Heiden; Michael Schedler; Douglas W. Stephan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1470 - 1479
• a: 10.0869 ± 0.0006 Å
• b: 16.8594 ± 0.001 Å
• c: 24.3705 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4144.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0654
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No