Information card for entry 2300696

Structure parameters

• Formula: C6 H10 O5
• Calculated formula: C6 H10 O5
• Title of publication: Growth and characterization of large centimetre-size levoglucosan single crystals
• Authors of publication: Lu, Guihua; Zhou, Hengwei; Wei, Lai; Zhao, Xingyu; Li, Zhipeng; Huang, Yineng
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2023
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 468 - 476
• a: 6.6601 ± 0.0017 Å
• b: 7.5006 ± 0.0019 Å
• c: 13.26 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 662.4 ± 0.3 ų
• Cell temperature: 246 ± 2 K
• Ambient diffraction temperature: 246.15 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: 0.0365
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes