Information card for entry 7112625

Structure parameters

• Formula: C30 H30 N2 O3
• Calculated formula: C30 H30 N2 O3
• 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: 9.8277 ± 0.0004 Å
• b: 9.8709 ± 0.0004 Å
• c: 26.4181 ± 0.0012 Å
• α: 90°
• β: 92.566 ± 0.002°
• γ: 90°
• Cell volume: 2560.2 ± 0.19 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No