Information card for entry 1542589

Structure parameters

• Formula: C25 H25 N O
• Calculated formula: C25 H25 N O
• SMILES: N(\C(=C/C(=O)c1ccc(cc1)C)Cc1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Synergistic Rhodium/Copper Catalysis: Synthesis of 1,3-Enynes and N-Aryl Enaminones.
• Authors of publication: Wang, Nan-Nan; Huang, Lei-Rong; Hao, Wen-Juan; Zhang, Tian-Shu; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1298 - 1301
• a: 11.1357 ± 0.0009 Å
• b: 10.6585 ± 0.0008 Å
• c: 17.1362 ± 0.0015 Å
• α: 90°
• β: 90.608 ± 0.001°
• γ: 90°
• Cell volume: 2033.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1808
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No