Information card for entry 2217305

Structure parameters

• Chemical name: 1,2-Di-2-furylethane-1,2-dione
• Formula: C10 H6 O4
• Calculated formula: C10 H6 O4
• SMILES: O=C(C(=O)c1ccco1)c1ccco1
• Title of publication: 1,2-Di-2-furylethane-1,2-dione
• Authors of publication: Fang-Fang Jian; Ke-Fei Wang; Rui-Rui Zhuang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o196 - o196
• a: 14.903 ± 0.004 Å
• b: 30.511 ± 0.006 Å
• c: 3.777 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1717.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes