Information card for entry 2200547

Structure parameters

• Chemical name: N-[(R)-3-methyl-2-butyl]-(S)-2-(6-methoxy-2-naphthyl)propionamide
• Formula: C19 H25 N O2
• Calculated formula: C19 H25 N O2
• SMILES: COc1cc2ccc(cc2cc1)[C@H](C)C(=O)N[C@H](C)C(C)C
• Title of publication: Absolute configuration of <i>N</i>-[(<i>R</i>)-3-methyl-2-butyl]-(<i>S</i>)-2-(6-methoxy-2-naphthyl)propionamide
• Authors of publication: Dupont, Léon; Khelili, Smail; Pirotte, Bernard; Tinant, Bernard; de Tullio, Pascal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: o650 - o651
• a: 6.879 ± 0.002 Å
• b: 29.563 ± 0.009 Å
• c: 8.511 ± 0.003 Å
• α: 90°
• β: 99.11 ± 0.02°
• γ: 90°
• Cell volume: 1709 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0571
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes