Information card for entry 2203616

Structure parameters

• Formula: C8 H10 O4
• Calculated formula: C8 H10 O4
• SMILES: O=C1O[C@@H]2CCCC[C@@H]2OC1=O
• Title of publication: <i>cis</i>-Perhydro-1,4-benzodioxin-2,3-dione
• Authors of publication: Darensbourg, Donald J.; Billodeaux, Damon R.; Ganguly, Poulomi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o868 - o869
• a: 12.088 ± 0.005 Å
• b: 20.492 ± 0.009 Å
• c: 6.289 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1557.8 ± 1.2 ų
• Cell temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No