Information card for entry 4324458

Structure parameters

• Formula: C22 H24 B N
• Calculated formula: C22 H24 B N
• SMILES: [N]1([C@H](c2c(cccc2)[B]1(c1ccccc1)c1ccccc1)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: 10.1559 ± 0.0005 Å
• b: 16.5857 ± 0.0008 Å
• c: 10.8949 ± 0.0006 Å
• α: 90°
• β: 106.383 ± 0.002°
• γ: 90°
• Cell volume: 1760.65 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No