Information card for entry 4515562

Structure parameters

• Formula: C37 H46 Cu N3
• Calculated formula: C37 H46 Cu N3
• SMILES: [Cu](/C=C/c1ccccc1)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.N#CC
• Title of publication: Radical-Organometallic Hybrid Reaction System Enabling Couplings between Tertiary-Alkyl Groups and 1-Alkenyl Groups
• Authors of publication: Nakamura, Kimiaki; Hara, Reina; Sunada, Yusuke; Nishikata, Takashi
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 6791
• a: 12.411 ± 0.002 Å
• b: 12.765 ± 0.003 Å
• c: 21.416 ± 0.004 Å
• α: 90°
• β: 95.043 ± 0.003°
• γ: 90°
• Cell volume: 3379.7 ± 1.2 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No