Information card for entry 1572168

Structure parameters

• Formula: C42 H52 O6
• Calculated formula: C42 H52 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: 6.7962 ± 0.0001 Å
• b: 21.0544 ± 0.0002 Å
• c: 25.6129 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3664.95 ± 0.07 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No