Information card for entry 8101096

Structure parameters

• Formula: C14 H17 I N2 O3
• Calculated formula: C14 H17 I N2 O3
• SMILES: N1(C(=O)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1CI)Nc1ccccc1
• Title of publication: Crystal structure of (3R,4R,5R)-5-iodomethyl-3,4-O-isopropylidenedioxy- 1-phenylamino-pyrrolidine-2-one, C~14~H~17~IN~2~O~3~
• Authors of publication: Henkel, Sonja; Shaw, Duncan; Jäger, Volker
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 4
• Pages of publication: 611 - 612
• a: 6.9748 ± 0.0009 Å
• b: 12.655 ± 0.002 Å
• c: 17.837 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1574.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1137
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No