Information card for entry 1543781

Structure parameters

• Formula: C23 H19 Cl2 N O3
• Calculated formula: C23 H19 Cl2 N O3
• SMILES: Clc1ccc(C(=O)C(OC(=O)c2ccc(Cl)cc2)CN(c2ccccc2)C)cc1
• Title of publication: Catalytic Oxidative Carbene Coupling of α-Diazo Carbonyls for the Synthesis of β-Amino Ketones via C(sp(3))-H Functionalization.
• Authors of publication: Zhang, Tian-Shu; Hao, Wen-Juan; Wang, Nan-Nan; Li, Guigen; Jiang, Dong-Fang; Tu, Shu-Jiang; Jiang, Bo
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 13
• Pages of publication: 3078 - 3081
• a: 32.758 ± 0.003 Å
• b: 9.5956 ± 0.0008 Å
• c: 14.9338 ± 0.0011 Å
• α: 90°
• β: 116.53 ± 0.002°
• γ: 90°
• Cell volume: 4199.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1231
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No