Information card for entry 7228201

Structure parameters

• Formula: C11 H14 O6
• Calculated formula: C11 H14 O6
• Title of publication: Sulfuric acid and Amberlyst-H+ catalyzed condensation reactions of renewable keto acids with paraformaldehyde: synthesis of a new dispiro bis-lactone ring system 2,9,13-trioxadispiro[4.1.4.3]tetradecane-3,6,10-trione
• Authors of publication: Amarasekara, Ananda S.; Ha, Uyen; Fonari, Marina S.; Bejagam, Shabari Nath; Margetić, Davor
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 39
• Pages of publication: 23917
• a: 10.326 ± 0.003 Å
• b: 5.8596 ± 0.0015 Å
• c: 17.227 ± 0.004 Å
• α: 90°
• β: 97.085 ± 0.004°
• γ: 90°
• Cell volume: 1034.4 ± 0.5 ų
• Cell temperature: 215 ± 2 K
• Ambient diffraction temperature: 215 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No