Information card for entry 1572163

Structure parameters

• Formula: C23 H35 Cl Cu N
• Calculated formula: C23 H35 Cl Cu N
• Title of publication: Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.
• Authors of publication: Madron du Vigné, Adrien; Cramer, Nicolai
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 34
• Pages of publication: 13864 - 13871
• a: 10.5297 ± 0.0005 Å
• b: 13.2008 ± 0.0007 Å
• c: 16.3003 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2265.75 ± 0.19 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.2395
• Weighted residual factors for all reflections included in the refinement: 0.247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No