Information card for entry 4034267

Structure parameters

• Formula: C17 H25 B N P
• Calculated formula: C17 H25 B N P
• SMILES: [P@](NCc1ccccc1)(c1ccccc1)(C(C)(C)C)[BH3]
• Title of publication: Umpolung Reactivity of in Situ Generated Phosphido-Boranes: An Entry to P-Stereogenic Aminophosphine-Boranes.
• Authors of publication: Lemouzy, Sébastien; Membrat, Romain; Olivieri, Enzo; Jean, Marion; Albalat, Muriel; Nuel, Didier; Giordano, Laurent; Hérault, Damien; Buono, Gérard
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 7
• Pages of publication: 4551 - 4557
• a: 8.05511 ± 0.00005 Å
• b: 11.64625 ± 0.00008 Å
• c: 18.10204 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1698.19 ± 0.018 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No