Information card for entry 2237472

Structure parameters

• Common name: 3-Methylenedihydrofuran-2,5-dione
• Chemical name: 3-Methylideneoxolane-2,5-dione
• Formula: C5 H4 O3
• Calculated formula: C5 H4 O3
• SMILES: O1C(=O)C(=C)CC1=O
• Title of publication: 3-Methylideneoxolane-2,5-dione
• Authors of publication: Beginn, Uwe; Frosinn, Martin; Reichelt, Martin; Reuter, Hans
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o321
• a: 5.4854 ± 0.0003 Å
• b: 7.3498 ± 0.0005 Å
• c: 12.1871 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 491.34 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0324
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes