Information card for entry 7246330

Structure parameters

• Common name: Arbutin DMA solvent compound; solvate S4
• Chemical name: Arbutin DMA solvate
• Formula: C28 H41 N O15
• Calculated formula: C28 H41 N O15
• 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: 6.3532 ± 0.0004 Å
• b: 21.0244 ± 0.0012 Å
• c: 22.6649 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3027.4 ± 0.4 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 4
• 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: 0.1042
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No