Information card for entry 1572167

Structure parameters

• Formula: C88.5 H95 O8
• Calculated formula: C88 H101.5 O8
• 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: 7.4527 ± 0.0001 Å
• b: 16.7911 ± 0.0002 Å
• c: 18.3652 ± 0.0003 Å
• α: 105.931 ± 0.001°
• β: 93.863 ± 0.001°
• γ: 90.313 ± 0.001°
• Cell volume: 2204.23 ± 0.05 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: 0.0849
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2294
• Weighted residual factors for all reflections included in the refinement: 0.2368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No