Information card for entry 4347158

Structure parameters

• Formula: C23 H27 Cu N2 O S
• Calculated formula: C23 H27 Cu N2 O S
• SMILES: [Cu](SC(=O)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Synthesis and Structures of [LCu(I)(SSi(i)Pr3)] (L = triphos, carbene) and Related Compounds.
• Authors of publication: Ferrara, Skylar J.; Wang, Bo; Haas, Elaine; Wright LeBlanc, Karry; Mague, Joel T.; Donahue, James P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 18
• Pages of publication: 9173 - 9177
• a: 8.8709 ± 0.0007 Å
• b: 13.4554 ± 0.001 Å
• c: 19.1905 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2290.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0388
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No