Information card for entry 2215601

Structure parameters

• Common name: Cyclobutane-1,2-dione
• Chemical name: Cyclobutane-1,2-dione
• Formula: C4 H4 O2
• Calculated formula: C4 H4 O2
• SMILES: O=C1C(=O)CC1
• Title of publication: Cyclobutane-1,2-dione
• Authors of publication: Betz, Richard; Klüfers, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3981 - o3981
• a: 5.3719 ± 0.0003 Å
• b: 6.8819 ± 0.0003 Å
• c: 10.8378 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 400.66 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• 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: 0.0386
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes