Information card for entry 4024563

Structure parameters

• Formula: C17 H23 Cl N2 O
• Calculated formula: C17 H23 Cl N2 O
• SMILES: Clc1ccc(C2N(C(=O)N(C=2)C(C)(C)C)C(C)(C)C)cc1
• Title of publication: Cu(I)-Catalyzed C‒H α-Amination of Aryl Ketones: Direct Synthesis of Imidazolinones
• Authors of publication: Zhao, Baoguo; Du, Haifeng; Shi, Yian
• Journal of publication: Journal of organic chemistry
• Year of publication: 2009
• Journal volume: 74
• Journal issue: 11
• Pages of publication: 4411 - 4413
• a: 5.8924 ± 0.0004 Å
• b: 20.8589 ± 0.0013 Å
• c: 13.5893 ± 0.0008 Å
• α: 90°
• β: 97.309 ± 0.004°
• γ: 90°
• Cell volume: 1656.68 ± 0.18 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• 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: 0.0787
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No