Information card for entry 2208309

Structure parameters

• Chemical name: (3S,4S)-4-(Cyclopropylcarbonyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one
• Formula: C9 H13 N O3
• Calculated formula: C9 H13 N O3
• SMILES: O=C1N[C@@H]([C@H]1[C@H](O)C)C(=O)C1CC1
• Title of publication: (3<i>S</i>,4<i>S</i>)-4-(Cyclopropylcarbonyl)-3-[(1<i>R</i>)-1-hydroxyethyl]azetidin-2-one
• Authors of publication: Wang, Li-Juan; Zhang, Zheng-Dong; Zheng, Jian-Feng; Fang, Hua; Jin, Li-Ren
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o888 - o889
• a: 5.422 ± 0.002 Å
• b: 7.436 ± 0.003 Å
• c: 24.043 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 969.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No