Information card for entry 4033666

Structure parameters

• Formula: C25.75 H30 O
• Calculated formula: C24 H26 O
• Title of publication: Hydroarylation of alkenes by protonation/Friedel-Crafts trapping - HFIP-mediated access to per-aryl quaternary stereocentres.
• Authors of publication: Nielsen, Christian D.-T.; White, Andrew J. P.; Sale, David; Burés, Jordi; Spivey, Alan Christopher
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 23.9466 ± 0.0008 Å
• b: 23.9466 ± 0.0008 Å
• c: 6.5821 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3268.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.1363
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.2306
• Weighted residual factors for all reflections included in the refinement: 0.3024
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No