Information card for entry 4102239

Structure parameters

• Formula: C34 H54 O6
• Calculated formula: C34 H54 O6
• SMILES: C1([C@@H](CC[C@@]2(CC3=CC[C@@H]4[C@]5(CC[C@H](C(C)(C)O[C@@H]5CC[C@]4([C@@H]3CC[C@H]2O1)C)OC(=O)C)C)C)OC(=O)C)(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: 13.2539 ± 0.0017 Å
• b: 7.4121 ± 0.0009 Å
• c: 16.7467 ± 0.0018 Å
• α: 90°
• β: 101.349 ± 0.006°
• γ: 90°
• Cell volume: 1613 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.2206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No