Information card for entry 1545452

Structure parameters

• Formula: C19 H20 O3
• Calculated formula: C19 H20 O3
• SMILES: O(C(=O)[C@@](O)(c1ccccc1)[C@@H](c1ccccc1)C=C)CC.O(C(=O)[C@](O)(c1ccccc1)[C@H](c1ccccc1)C=C)CC
• Title of publication: Gold-Catalyzed [2,3]-Sigmatropic Rearrangement: Reaction of Aryl Allyl Alcohols with Diazo Compounds.
• Authors of publication: Rao, Santhosh; Prabhu, Kandikere Ramaiah
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 4
• Pages of publication: 846 - 849
• a: 5.7538 ± 0.0003 Å
• b: 17.7715 ± 0.001 Å
• c: 15.5029 ± 0.001 Å
• α: 90°
• β: 96.093 ± 0.005°
• γ: 90°
• Cell volume: 1576.27 ± 0.16 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No