Information card for entry 1547225

Structure parameters

• Formula: C23 H19 N O
• Calculated formula: C23 H19 N O
• SMILES: C1(=O)C(=Cc2ccccc2CN1Cc1ccccc1)c1ccccc1
• Title of publication: Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.
• Authors of publication: Hu, Yue; Huang, Hanmin
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 5070 - 5073
• a: 13.668 ± 0.005 Å
• b: 12.191 ± 0.004 Å
• c: 11.563 ± 0.004 Å
• α: 90°
• β: 112.665 ± 0.006°
• γ: 90°
• Cell volume: 1777.9 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0742
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No