Information card for entry 2222795

Structure parameters

• Chemical name: 3-(2-Furylmethylene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
• Formula: C14 H14 O5
• Calculated formula: C14 H14 O5
• SMILES: O1C(=O)/C(=C\c2occc2)C(=O)OC21CCCCC2
• Title of publication: 3-(2-Furylmethylene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
• Authors of publication: Zeng, Wu-Lan; Jian, Fang-fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1875
• a: 7.0634 ± 0.0014 Å
• b: 9.5103 ± 0.0019 Å
• c: 10.183 ± 0.002 Å
• α: 64.91 ± 0.03°
• β: 82.38 ± 0.03°
• γ: 84.76 ± 0.03°
• Cell volume: 613.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1257
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.2381
• Weighted residual factors for all reflections included in the refinement: 0.2849
• 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: Yes