Information card for entry 2100519

Structure parameters

• Chemical name: (S)-4-(-)-oxo-2-azetidinonecarboxilyc acid
• Formula: C4 H5 N O3
• Calculated formula: C4 H5 N O3
• SMILES: O=C1C[C@H](N1)C(=O)O
• Title of publication: Structures of (<i>S</i>)-({-})-4-oxo-2-azetidinecarboxylic acid and 3-azetidinecarboxylic acid from powder synchrotron diffraction data
• Authors of publication: Asiloé J. Mora; Michella Brunelli; Andrew N. Fitch; Jonathan Wright; Maria E. Báez; Francisco López-Carrasquero
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: 606 - 611
• a: 8.94684 ± 0.00002 Å
• b: 7.66956 ± 0.00002 Å
• c: 7.27555 ± 0.00002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 499.236 ± 0.002 ų
• Cell temperature: 295 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
• Goodness-of-fit parameter for all reflections: 2.81
• Diffraction radiation wavelength: 0.84933 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes