Information card for entry 8102749

Structure parameters

• Chemical name: 1,5-dioxaspiro[5.5]undecane-2,4-dione
• Formula: C9 H12 O4
• Calculated formula: C9 H12 O4
• Title of publication: Crystal structure of 1,5-dioxaspiro[5.5]undecane-2,4-dione, C9H12O4
• Authors of publication: Wu-Lan Zeng; Yu-Feng Li; Yong Liu; Fang-Fang Jian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 498
• a: 9.4586 ± 0.0019 Å
• b: 9.473 ± 0.0019 Å
• c: 20.39 ± 0.004 Å
• α: 88.15 ± 0.03°
• β: 88.6 ± 0.03°
• γ: 89.88 ± 0.03°
• Cell volume: 1825.5 ± 0.6 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: 0.0552
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1131
• 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: No