Information card for entry 7153432

Structure parameters

• Formula: C7 H5 N O2
• Calculated formula: C7 H5 N O2
• Title of publication: Pyrrolizine-1,3-dione.
• Authors of publication: McNab, Hamish; Montgomery, James; Parsons, Simon; Tredgett, David G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 19
• Pages of publication: 4383 - 4387
• a: 5.1445 ± 0.0009 Å
• b: 14.134 ± 0.002 Å
• c: 8.0639 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 586.35 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No