Information card for entry 7112627

Structure parameters

• Formula: C24 H18 N2 O
• Calculated formula: C25 H21 N2 O
• SMILES: C1(=O)C(C)CC(=C1Nc1ncccc1)/C(=C\c1ccccc1)c1ccccc1
• Title of publication: Catalytic intermolecular beta-C-H alkenylation of alpha-enamino-ketones with simple alkynes
• Authors of publication: Zhiqian Wang; Brandon J. Reinus; Guangbin Dong
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5230
• a: 16.425 Å
• b: 14.739 Å
• c: 16.609 Å
• α: 90°
• β: 90.3°
• γ: 90°
• Cell volume: 4020.79 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.2171
• Residual factor for significantly intense reflections: 0.11
• Weighted residual factors for significantly intense reflections: 0.2471
• Weighted residual factors for all reflections included in the refinement: 0.3097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No