Information card for entry 4131566

Structure parameters

• Common name: pf262a
• Formula: C20 H26 O3
• Calculated formula: C20 H26 O3
• SMILES: CC(=C1[C@@]2(CCC(=O)O2)[C@@]2([C@@]3(CC1)CC[C@@H](C2)C(=C)C3=O)C)C
• Title of publication: Total Synthesis of Terpenoids Employing a "Benzannulation of Carvone" Strategy: Synthesis of (-)-Crotogoudin.
• Authors of publication: Finkbeiner, Peter; Murai, Kenichi; Röpke, Michael; Sarpong, Richmond
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 33
• Pages of publication: 11349 - 11352
• a: 11.2752 ± 0.0012 Å
• b: 11.761 ± 0.0012 Å
• c: 12.3224 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1634 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0277
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No