Information card for entry 7133136

Structure parameters

• Chemical name: 10auga_o_0m
• Formula: C20 H30 O
• Calculated formula: C20 H30 O
• Title of publication: Enantioselective Total Synthesis of Atisane Diterpenoids: (+)-Sapinsigin H, (+)-Agallochaol C, and (+)-16α, 17-dihydroxy-atisan-3-one
• Authors of publication: Dethe, Dattatraya; Sharma, Nitin; Juyal, Sakshi; Singh, Prabhakar; Siddiqui, Salman A.
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 6.0028 ± 0.0002 Å
• b: 11.2789 ± 0.0003 Å
• c: 13.1074 ± 0.0004 Å
• α: 64.982 ± 0.001°
• β: 80.954 ± 0.001°
• γ: 87.69 ± 0.001°
• Cell volume: 793.83 ± 0.04 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No