Information card for entry 7113988

Structure parameters

• Formula: C19 H24 O7
• Calculated formula: C19 H24 O7
• SMILES: O(C1[C@H]2OC(O[C@H]2C(O)[C@H]2OC(O[C@@H]12)(C)C)(C)C)C(=O)c1ccccc1
• Title of publication: Bio-inspired synthesis of rare and unnatural carbohydrates and cyclitols through strain driven epimerization
• Authors of publication: Raja Mohanrao; Aromal Asokan; Kana M. Sureshan
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6707
• a: 9.0182 ± 0.0009 Å
• b: 26.03 ± 0.003 Å
• c: 15.8147 ± 0.0015 Å
• α: 90°
• β: 95.306 ± 0.004°
• γ: 90°
• Cell volume: 3696.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1356
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No