Information card for entry 1518583

Structure parameters

• Formula: C14 H18 O2
• Calculated formula: C14 H18 O2
• SMILES: O=C1C[C@H]([C@]2(C(=C1)C(=O)[C@@H]1[C@H]2C1(C)C)C)C
• Title of publication: Enantioselective Total Synthesis of (-)-Nardoaristolone B via a Gold(I)-Catalyzed Oxidative Cyclization.
• Authors of publication: Homs, Anna; Muratore, Michael E.; Echavarren, Antonio M.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 3
• Pages of publication: 461 - 463
• a: 8.0591 ± 0.0004 Å
• b: 9.6081 ± 0.0005 Å
• c: 15.5767 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1206.14 ± 0.11 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: 0.0355
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No