Information card for entry 4324455

Structure parameters

• Formula: C27 H46 B P
• Calculated formula: C27 H46 B P
• SMILES: [P+]1(C(c2c(cccc2)C1)(C1CCCCC1)C1CCCCC1)(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: 17.555 ± 0.003 Å
• b: 16.044 ± 0.002 Å
• c: 8.7532 ± 0.0011 Å
• α: 90°
• β: 90.784 ± 0.009°
• γ: 90°
• Cell volume: 2465.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1657
• Residual factor for significantly intense reflections: 0.1127
• Weighted residual factors for significantly intense reflections: 0.302
• Weighted residual factors for all reflections included in the refinement: 0.317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.651
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No