Information card for entry 1553344

Structure parameters

• Formula: C21 H22 O10
• Calculated formula: C21 H22 O10
• SMILES: O(c1ccc(O)cc1)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)COC(=O)CC(=O)c1ccc(O)cc1
• Title of publication: Arbutin Derivatives Isolated from Ancient Proteaceae: Potential Phytochemical Markers Present in Bellendena, Cenarrhenes, and Persoonia Genera.
• Authors of publication: Deans, Bianca J.; Kilah, Nathan L.; Jordan, Gregory J.; Bissember, Alex C.; Smith, Jason A.
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 5
• Pages of publication: 1241 - 1251
• a: 5.353 ± 0.0011 Å
• b: 17.855 ± 0.004 Å
• c: 19.903 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1902.3 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0443
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No