Information card for entry 7216916

Structure parameters

• Formula: C12 H20 O2
• Calculated formula: C12 H20 O2
• Title of publication: Synthesis and stereochemistry of new tetraspiro-1,3-dioxanes
• Authors of publication: Opris, Dorina; Grosu, Ion; Toupet, Loïc; Plé, Gérard; Terec, Anamaria; Mager, Sorin; Muntean, Luminita
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 2413
• a: 7.1914 ± 0.0002 Å
• b: 7.6935 ± 0.0003 Å
• c: 10.8709 ± 0.0005 Å
• α: 97.588 ± 0.002°
• β: 100.393 ± 0.002°
• γ: 112.749 ± 0.003°
• Cell volume: 531.89 ± 0.04 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: 0.0498
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No