Information card for entry 7127427

Structure parameters

• Formula: C32 H23 N2 O
• Calculated formula: C32 H21 N2 O
• SMILES: N(c1cccc2c1c(ccc2)C(=C\C#Cc1ccccc1)\c1ccccc1)C(=O)c1ncccc1
• Title of publication: Cobalt(ii)-catalyzed hydroarylation of 1,3-diynes and internal alkynes with picolinamides promoted by alcohol.
• Authors of publication: Gao, Yuan; Zhang, Mengfan; Wang, Chaoyu; Yang, Zhen; Huang, Xianqiang; Feng, Ruokun; Qi, Chenze
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 91
• Pages of publication: 14231 - 14234
• a: 10.6041 ± 0.0011 Å
• b: 18.1154 ± 0.0019 Å
• c: 13.0961 ± 0.0016 Å
• α: 90°
• β: 104.601 ± 0.003°
• γ: 90°
• Cell volume: 2434.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1572
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No