Information card for entry 1542590

Structure parameters

• Formula: C26 H21 Cl O
• Calculated formula: C26 H21 Cl O
• SMILES: Clc1ccc(C(=O)CC(=C\c2ccc(cc2)C)/C#Cc2ccc(cc2)C)cc1
• 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: 13.2144 ± 0.0012 Å
• b: 5.6194 ± 0.0005 Å
• c: 14.8801 ± 0.0013 Å
• α: 90°
• β: 111.914 ± 0.002°
• γ: 90°
• Cell volume: 1025.11 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1724
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No