Information card for entry 1545800

Structure parameters

• Formula: C15 H28 N4 O7 S2
• Calculated formula: C15 H28 N4 O7 S2
• Title of publication: Brønsted acidic ionic liquid-catalyzed dehydrative formation of isosorbide from sorbitol: introduction of a continuous process
• Authors of publication: Deng, Jie; Xu, Bao-Hua; Wang, Yao-Feng; Mo, Xian-En; Zhang, Rui; Li, You; Zhang, Suo-Jiang
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2017
• a: 7.8403 ± 0.0002 Å
• b: 12.7512 ± 0.0003 Å
• c: 10.5247 ± 0.0002 Å
• α: 90°
• β: 91.486 ± 0.002°
• γ: 90°
• Cell volume: 1051.83 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No