Information card for entry 4514861

Structure parameters

• Formula: C20 H14 Cl N O
• Calculated formula: C20 H14 Cl N O
• Title of publication: Enantioselective Atropisomeric Anilides Synthesis via Cu-Catalyzed Intramolecular Adjacent C‒N Coupling
• Authors of publication: Fan, Xiaozhong; Zhang, Xue; Li, Chunyu; Gu, Zhenhua
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 2286
• a: 8.6566 ± 0.0005 Å
• b: 11.3426 ± 0.0005 Å
• c: 16.584 ± 0.0009 Å
• α: 89.235 ± 0.003°
• β: 77.991 ± 0.002°
• γ: 89.031 ± 0.002°
• Cell volume: 1592.41 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No