Information card for entry 7246329

Structure parameters

• Common name: ARB
• Chemical name: arbutin
• Formula: C12 H16 O7
• Calculated formula: C12 H16 O7
• Title of publication: Mechanistic study of the formation of arbutin polymorphs and solvates
• Authors of publication: Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 14
• Pages of publication: 2075 - 2084
• a: 21.5133 ± 0.0014 Å
• b: 4.9621 ± 0.0004 Å
• c: 24.1452 ± 0.0016 Å
• α: 90°
• β: 95.496 ± 0.006°
• γ: 90°
• Cell volume: 2565.7 ± 0.3 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 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: 0.1431
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No