Information card for entry 2208715

Structure parameters

• Chemical name: cis-3-Azabicyclo[3.2.0]heptane-2,4-dione
• Formula: C6 H7 N O2
• Calculated formula: C6 H7 N O2
• SMILES: O=C1NC(=O)[C@@H]2[C@H]1CC2
• Title of publication: <i>cis</i>-3-Azabicyclo[3.2.0]heptane-2,4-dione
• Authors of publication: Butcher, Ray J.; Hijji, Yousef M.; Benjamin, Ellis
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1266 - o1268
• a: 9.4771 ± 0.0005 Å
• b: 7.6956 ± 0.0005 Å
• c: 8.3279 ± 0.0005 Å
• α: 90°
• β: 103.763 ± 0.004°
• γ: 90°
• Cell volume: 589.93 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes