Information card for entry 4324461

Structure parameters

• Formula: C19 H26 B N
• Calculated formula: C19 H26 B N
• SMILES: [N]1(C(c2c(cccc2)[BH]1c1c(cc(cc1C)C)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: 9.6978 ± 0.0005 Å
• b: 7.7722 ± 0.0004 Å
• c: 22.4589 ± 0.0013 Å
• α: 90°
• β: 93.38 ± 0.003°
• γ: 90°
• Cell volume: 1689.86 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0945
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.2103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No