Information card for entry 8107241

Structure parameters

• Formula: C18 H16 O8
• Calculated formula: C18 H16 O8
• Title of publication: The crystal structure of Chrysosplenol D, C18H16O8
• Authors of publication: Li, Yijv; Zhao, Nengwu; Ye, Jianghai; Xu, Fangfang; Luo, Shuntong; Lang, Tianqiong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 877 - 879
• a: 14.5762 ± 0.0006 Å
• b: 6.6791 ± 0.0003 Å
• c: 17.424 ± 0.0007 Å
• α: 90°
• β: 103.582 ± 0.001°
• γ: 90°
• Cell volume: 1648.89 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No