Information card for entry 1553343

Structure parameters

• Formula: C17 H24 O10
• Calculated formula: C17 H24 O10
• SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc1ccc(O)cc1)COC(=O)C(=C\CO)\C.O
• 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: 14.2391 ± 0.0004 Å
• b: 6.4146 ± 0.0002 Å
• c: 19.8531 ± 0.0006 Å
• α: 90°
• β: 95.8796 ± 0.0009°
• γ: 90°
• Cell volume: 1803.81 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No