Information card for entry 4119729

Structure parameters

• Formula: C10 H16 O7
• Calculated formula: C10 H16 O7
• SMILES: C1(=O)OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@H](O2)OC)OC)OC
• Title of publication: Polycarbonates Derived from Glucose via an Organocatalytic Approach
• Authors of publication: Koichiro Mikami; Alexander T. Lonnecker; Tiffany P. Gustafson; Nathanael F. Zinnel; Pei-Jing Pai; David H. Russell; Karen L. Wooley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 6826 - 6829
• a: 8.2828 ± 0.0008 Å
• b: 8.5783 ± 0.001 Å
• c: 12.4406 ± 0.0014 Å
• α: 80.819 ± 0.009°
• β: 87.674 ± 0.008°
• γ: 89.574 ± 0.008°
• Cell volume: 871.89 ± 0.17 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No