Information card for entry 1504797

Structure parameters

• Formula: C18 H20 O2
• Calculated formula: C18 H20 O2
• SMILES: O1C[C@@H]2C(=O)C3=C(CCCC3)[C@]2(CC)c2c1cccc2.O1C[C@H]2C(=O)C3=C(CCCC3)[C@@]2(CC)c2c1cccc2
• Title of publication: Gold-catalyzed synthesis of polycyclic enones from carbon tethered 1,3-enynyl carbonyls via tandem heteroenyne metathesis and Nazarov reaction.
• Authors of publication: Jin, Tienan; Yamamoto, Yoshinori
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 14
• Pages of publication: 3137 - 3139
• a: 7.341 ± 0.003 Å
• b: 12.153 ± 0.004 Å
• c: 15.548 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1387.1 ± 0.9 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No