Information card for entry 2228887

Structure parameters

• Chemical name: Disopropyl {[(2<i>S</i>,3<i>S</i>)-2-amino-3-methylpentanamido](phenyl)methyl}phosphonate
• Formula: C19 H33 N2 O4 P
• Calculated formula: C19 H33 N2 O4 P
• SMILES: P(=O)(OC(C)C)(OC(C)C)[C@H](NC(=O)[C@H]([C@H](CC)C)N)c1ccccc1.P(=O)(OC(C)C)(OC(C)C)[C@@H](NC(=O)[C@H]([C@H](CC)C)N)c1ccccc1
• Title of publication: Disopropyl {[(2<i>S</i>,3<i>S</i>)-2-amino-3-methylpentanamido](phenyl)methyl}phosphinate
• Authors of publication: Cheng, Hong-Ming; Zhang, Han-Wen; Fang, Hua; Wu, Zhen; Zhao, Yu-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o194
• a: 9.3455 ± 0.0003 Å
• b: 23.6079 ± 0.0006 Å
• c: 10.0517 ± 0.0004 Å
• α: 90°
• β: 103.819 ± 0.004°
• γ: 90°
• Cell volume: 2153.49 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0707
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.822
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes