Information card for entry 7156632

Structure parameters

• Formula: C17 H20 O2
• Calculated formula: C17 H20 O2
• Title of publication: Phosphine-catalyzed [4 + 2] cyclization of para-quinone methide derivatives with allenes.
• Authors of publication: Yuan, Fu-Ru; Jiang, Fei; Chen, Ke-Wei; Mei, Guang-Jian; Wu, Qiong; Shi, Feng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 9
• Pages of publication: 2361 - 2369
• a: 12.09 ± 0.003 Å
• b: 12.294 ± 0.003 Å
• c: 12.543 ± 0.003 Å
• α: 63.859 ± 0.003°
• β: 70.176 ± 0.003°
• γ: 61.173 ± 0.003°
• Cell volume: 1447.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1393
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No