Information card for entry 7127425

Structure parameters

• Formula: C32 H20 F2 N O
• Calculated formula: C32 H20 F2 N2 O
• SMILES: N(c1cccc2c1c(ccc2)C(=C\C#Cc1ccc(F)cc1)\c1ccc(F)cc1)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: 9.0495 ± 0.0009 Å
• b: 11.3463 ± 0.0011 Å
• c: 13.2051 ± 0.0012 Å
• α: 84.652 ± 0.002°
• β: 76.728 ± 0.001°
• γ: 75.775 ± 0.001°
• Cell volume: 1278.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No