Information card for entry 1567232

Structure parameters

• Chemical name: 3-[(RS)-(2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl)sulfinyl]propanenitrile
• Formula: C17 H23 N O10 S
• Calculated formula: C17 H23 N O10 S
• Title of publication: Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation
• Authors of publication: Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 8.0982 ± 0.001 Å
• b: 15.8199 ± 0.0014 Å
• c: 16.351 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2094.8 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No