Information card for entry 1553341

Structure parameters

• Formula: C22 H28 O11
• Calculated formula: C22 H28 O11
• SMILES: O1[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1COC(=O)C(=C\COC(=O)C(=C\CO)\C)\C
• 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: 14.958 ± 0.003 Å
• b: 4.754 ± 0.001 Å
• c: 15.974 ± 0.003 Å
• α: 90°
• β: 100.84 ± 0.03°
• γ: 90°
• Cell volume: 1115.6 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No