Information card for entry 2100518

Structure parameters

• Formula: C4 H7 N O2
• Calculated formula: C4 H7 N O2
• SMILES: C1(C[NH2+]C1)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: 6.27983 ± 0.00003 Å
• b: 7.83799 ± 0.00004 Å
• c: 5.46295 ± 0.00003 Å
• α: 90°
• β: 114.893 ± 0.0004°
• γ: 90°
• Cell volume: 243.913 ± 0.002 ų
• Cell temperature: 295 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Goodness-of-fit parameter for all reflections: 1.93
• Diffraction radiation wavelength: 0.540211 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes