Information card for entry 7051104

Structure parameters

• Formula: C27 H26 N O P
• Calculated formula: C27 H26 N O P
• SMILES: P(=O)([C@@H](N[C@@H](C)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: New chiral α-aminophosphine oxides and sulfides: an unprecedented rhodium-catalyzed ligand epimerization
• Authors of publication: Andrieu, Jacques; Camus, Jean-Michel; Poli, Rinaldo; Richard, Philippe
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 8
• Pages of publication: 1015
• a: 5.804 ± 0.001 Å
• b: 16.911 ± 0.003 Å
• c: 23.518 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2308.3 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.0409
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0891
• 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