Information card for entry 1553340

Structure parameters

• Chemical name: Arbutin hydrate
• Formula: C12 H18 O8
• Calculated formula: C12 H18 O8
• 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: 6.7584 ± 0.0002 Å
• b: 14.2353 ± 0.0004 Å
• c: 27.7506 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2669.83 ± 0.13 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: 0.0344
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0711
• 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