Information card for entry 4102241

Structure parameters

• Formula: C30 H50 O4
• Calculated formula: C30 H50 O4
• SMILES: C1([C@@H](CC[C@@]2(CC3=C([C@]4([C@H](CC3)[C@]3(CC[C@H](C(C)(C)O[C@@H]3CC4)O)C)C)CC[C@H]2O1)C)O)(C)C
• Title of publication: Biomimetic Syntheses from Squalene-Like Precursors: Synthesis of ent-Abudinol B and Reassessment of the Structure of Muzitone
• Authors of publication: Matthew A. Boone; Rongbiao Tong; Frank E. McDonald; Sheri Lense; Rui Cao; Kenneth I. Hardcastle
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 5300 - 5308
• a: 12.194 ± 0.003 Å
• b: 17.305 ± 0.004 Å
• c: 25.66 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5415 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.2062
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No