Information card for entry 1504213

Structure parameters

• Formula: C21 H28 O10
• Calculated formula: C21 H28 O10
• SMILES: O([C@@H]1[C@H]2OC(O[C@H]2O[C@@H]1[C@@H]1OC(OC1)(C)C)(C)C)[C@H]1C[C@@H]2OC(=O)[C@]1(C=C2)C(=O)OC
• Title of publication: A new, general method for the synthesis of carbasugar-sugar pseudodisaccharides.
• Authors of publication: Afarinkia, Kamyar; Abdullahi, Mohamed Haji; Scowen, Ian J.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 22
• Pages of publication: 5182 - 5184
• a: 10.0245 ± 0.0006 Å
• b: 12.5364 ± 0.0008 Å
• c: 17.6378 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2216.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0626
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No