Information card for entry 8105889

Structure parameters

• Formula: C25 H34 O7
• Calculated formula: C25 H34 O7
• Title of publication: Isolation and crystal structure of bufotalinin — methanol (1/1), C25H34O7
• Authors of publication: Li, Guo-Qiang; Zhao, Yi-Ting; Xu, Qing-Peng; Tian, Hai-Yan; Guo, Peng-ran; Wu, Fu-wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 911 - 913
• a: 9.2473 ± 0.0001 Å
• b: 9.9061 ± 0.0002 Å
• c: 12.5907 ± 0.0002 Å
• α: 90°
• β: 101.264 ± 0.002°
• γ: 90°
• Cell volume: 1131.15 ± 0.03 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0383
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No