Information card for entry 7234812

Structure parameters

• Formula: C6 H6 O6
• Calculated formula: C6 H6 O6
• 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: 11.6926 ± 0.001 Å
• b: 5.2936 ± 0.0005 Å
• c: 12.0745 ± 0.0011 Å
• α: 90°
• β: 118.255 ± 0.001°
• γ: 90°
• Cell volume: 658.31 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0409
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.298
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No