Information card for entry 7216914

Structure parameters

• Formula: C22 H36 O4
• Calculated formula: C21.978 H36.2 O4
• 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: 22.773 ± 0.009 Å
• b: 6.899 ± 0.004 Å
• c: 13.08 ± 0.002 Å
• α: 90°
• β: 103.47 ± 0.02°
• γ: 90°
• Cell volume: 1998.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1564
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1915
• Weighted residual factors for all reflections included in the refinement: 0.2321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No