Information card for entry 2203207

Structure parameters

• Chemical name: (S)-Nitrosoazetidine-2-carboxylic acid
• Formula: C4 H6 N2 O3
• Calculated formula: C4 H6 N2 O3
• SMILES: O=C(O)[C@H]1N(N=O)CC1
• Title of publication: (<i>S</i>)-<i>N</i>-Nitrosoazetidine-2-carboxylic acid
• Authors of publication: Maria Gdaniec; Maria J. Milewska; Tadeusz Połoński
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o181 - o183
• a: 6.6521 ± 0.0011 Å
• b: 7.948 ± 0.002 Å
• c: 10.848 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 573.5 ± 0.2 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: 0.0376
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes