Information card for entry 1100220

Structure parameters

• Chemical name: (4RS,5SR,1'RS)-4-(1-Chloro-1-phenylmethyl)-5-methyl-1,3-oxazolidin-2-one
• Formula: C11 H12 Cl N O2
• Calculated formula: C11 H12 Cl N O2
• SMILES: Cl[C@H]([C@H]1NC(=O)O[C@@H]1C)c1ccccc1.Cl[C@@H]([C@@H]1NC(=O)O[C@H]1C)c1ccccc1
• Title of publication: Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones
• Authors of publication: Bach, Thorsten; Schlummer, Björn; Harms, Klaus
• Journal of publication: Chemistry - A European Journal
• Year of publication: 2001
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 2581 - 2594
• a: 11.0478 ± 0.0012 Å
• b: 28.024 ± 0.003 Å
• c: 7.2693 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2250.6 ų
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for significantly intense reflections: 3.22
• Weighted residual factors for significantly intense reflections: 3.22
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No