Information card for entry 4038614

Structure parameters

• Formula: C20 H24 O5
• Calculated formula: C20 H24 O5
• Title of publication: Formal Total Synthesis of Atropurpuran.
• Authors of publication: Suzuki, Takahiro; Koyama, Takeshi; Nakanishi, Kenta; Kobayashi, Susumu; Tanino, Keiji
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 13.4894 ± 0.0001 Å
• b: 6.9863 ± 0.0001 Å
• c: 18.057 ± 0.0002 Å
• α: 90°
• β: 96.75 ± 0.001°
• γ: 90°
• Cell volume: 1689.91 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0425
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No