Information card for entry 7157307

Structure parameters

• Formula: C35 H48 O7
• Calculated formula: C35 H48 O7
• Title of publication: Biomimetic total syntheses of baefrutones A-D, baeckenon B, and frutescones A, D-F.
• Authors of publication: Hou, Ji-Qin; Yu, Jiang-Hong; Zhao, Heng; Dong, Ying-Ying; Peng, Qiu-Shi; Zhang, Bao-Bao; Wang, Hao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1135 - 1139
• a: 11.3336 ± 0.0002 Å
• b: 16.1275 ± 0.0003 Å
• c: 18.2549 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3336.68 ± 0.1 ų
• Cell temperature: 299.99 ± 0.1 K
• Ambient diffraction temperature: 299.99 ± 0.1 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: 0.0551
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No