Information card for entry 1517074

Structure parameters

• Formula: C23 H20
• Calculated formula: C23 H20
• SMILES: c12C(=C(CCCc1cccc2)c1ccccc1)c1ccccc1
• Title of publication: Cu-Catalyzed Arylcarbocyclization of Alkynes with Diaryliodonium Salts through C-C Bond Formation on Inert C(sp3)-H Bond.
• Authors of publication: Peng, Jing; Chen, Chao; Chen, Junjie; Su, Xiang; Xi, Chanjuan; Chen, Hui
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 14
• Pages of publication: 3776
• a: 5.606 ± 0.003 Å
• b: 8.951 ± 0.007 Å
• c: 17.058 ± 0.011 Å
• α: 81.48 ± 0.05°
• β: 82.58 ± 0.05°
• γ: 77.41 ± 0.04°
• Cell volume: 822 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.172
• Residual factor for significantly intense reflections: 0.1114
• Weighted residual factors for significantly intense reflections: 0.2341
• Weighted residual factors for all reflections included in the refinement: 0.247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No