Information card for entry 7130708

Structure parameters

• Formula: C23 H24 O3
• Calculated formula: C23 H24 O3
• Title of publication: Vinyl Cation-Mediated Intramolecular Hydroarylation of Alkynes Using Pyridinium Reagents
• Authors of publication: Corcoran, James C.; Guo, Rui; Xia, Yue; Wang, Yiming
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 8.3486 ± 0.0002 Å
• b: 10.8563 ± 0.0002 Å
• c: 11.6441 ± 0.0002 Å
• α: 62.4089 ± 0.0009°
• β: 80.6019 ± 0.0009°
• γ: 88.2485 ± 0.001°
• Cell volume: 921.56 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0474
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No