Information card for entry 1572169

Structure parameters

• Formula: C42 H46 O6
• Calculated formula: C42 H44.5 O6
• Title of publication: Biomimetic total synthesis of the reported structure of (+)-selaginedorffone B
• Authors of publication: Kundu, Sourav; Jana, Debgopal; Mandal, Nilangshu; Mondal, Ayan; Murmu, Ranjit; Roy, Nanda Kishore; Datta, Ayan; Bisai, Alakesh
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 6.2642 ± 0.0003 Å
• b: 8.0505 ± 0.0002 Å
• c: 36.8967 ± 0.0006 Å
• α: 86.519 ± 0.002°
• β: 86.864 ± 0.002°
• γ: 67.266 ± 0.003°
• Cell volume: 1711.99 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1242
• Residual factor for significantly intense reflections: 0.1227
• Weighted residual factors for significantly intense reflections: 0.3578
• Weighted residual factors for all reflections included in the refinement: 0.3615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.828
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No