Information card for entry 7234811

Structure parameters

• Formula: C13 H16 O10
• Calculated formula: C13 H16 O10
• Title of publication: Highly Regio- and Stereoselective Synthesis of Cyclic Carbonates from Biomass-derived Polyols via Organocatalytic Cascade Reaction
• Authors of publication: Zhou, Hui; Zhang, Hui; Mu, Sen; Zhang, Wen-Zhen; Ren, Wei-Min; Lu, Xiaobing
• Journal of publication: Green Chemistry
• Year of publication: 2019
• a: 10.764 ± 0.008 Å
• b: 11.06 ± 0.008 Å
• c: 25.394 ± 0.019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3023 ± 4 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1538
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.1967
• Weighted residual factors for all reflections included in the refinement: 0.2404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No