Information card for entry 1547231

Structure parameters

• Formula: C24 H21 N O2
• Calculated formula: C24 H21 N O2
• SMILES: c1ccccc1CN1C(=O)C(=Cc2ccc(cc2C1)OC)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: 25.773 ± 0.005 Å
• b: 12.89 ± 0.003 Å
• c: 11.497 ± 0.002 Å
• α: 90°
• β: 91.868 ± 0.004°
• γ: 90°
• Cell volume: 3817.4 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No