Information card for entry 7051103

Structure parameters

• Formula: C54 H52 N2 P2 S2
• Calculated formula: C54 H52 N2 P2 S2
• SMILES: S=P([C@H](N[C@@H](C)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.S=P([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: 9.0532 ± 0.0004 Å
• b: 18.5975 ± 0.0009 Å
• c: 13.4262 ± 0.0008 Å
• α: 90°
• β: 92.218 ± 0.002°
• γ: 90°
• Cell volume: 2258.8 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No