Information card for entry 7111850

Structure parameters

• Formula: C20 H23 P
• Calculated formula: C20 H23 P
• SMILES: P(C(C)C)(c1cc2ccccc2c2c1cccc2)C(C)C
• Title of publication: A simple route to azaborinylphosphines: isoelectronic B-N analogues of arylphosphine ligands
• Authors of publication: Jonathan A. Bailey; Mairi F. Haddow; Paul G. Pringle
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1432
• a: 7.1656 ± 0.0003 Å
• b: 17.6207 ± 0.0007 Å
• c: 26.1711 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3304.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0672
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No