Information card for entry 7153683

Structure parameters

• Formula: C27 H23 F N2
• Calculated formula: C27 H23 F N2
• SMILES: Fc1ccc(C#CC2N(Cc3n(c4c(cccc4)c3)C)CCc3ccccc23)cc1
• Title of publication: Mild gold-catalyzed three-component dehydrogenative coupling of terminal alkynes to amines and indole-2-carboxaldehyde.
• Authors of publication: Li, Jian; Wang, Hongni; Sun, Jiangtao; Yang, Yang; Liu, Li
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 16
• Pages of publication: 2523 - 2527
• a: 10.764 ± 0.003 Å
• b: 12.052 ± 0.004 Å
• c: 17.532 ± 0.005 Å
• α: 90°
• β: 107.151 ± 0.007°
• γ: 90°
• Cell volume: 2173.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1725
• Residual factor for significantly intense reflections: 0.11
• Weighted residual factors for significantly intense reflections: 0.2706
• Weighted residual factors for all reflections included in the refinement: 0.3547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No