Information card for entry 4108972

Structure parameters

• Formula: C96 H80 Cu2 I2 P4
• Calculated formula: C96 H80 Cu2 I2 P4
• SMILES: [Cu]12([I][Cu]3([I]1)[P](c1ccc4ccccc4c1c1c4ccccc4ccc1[P]3(c1ccc(cc1)C)c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)[P](c1ccc3ccccc3c1c1c3ccccc3ccc1[P]2(c1ccc(C)cc1)c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Cu(I) Tol-BINAP-Catalyzed Enantioselective Michael Reactions of Grignard Reagents and Unsaturated Esters
• Authors of publication: Shun-Yi Wang; Shun-Jun Ji; Teck-Peng Loh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 276 - 277
• a: 14.6499 ± 0.0003 Å
• b: 14.5155 ± 0.0003 Å
• c: 19.163 ± 0.0004 Å
• α: 90°
• β: 90.96 ± 0.001°
• γ: 90°
• Cell volume: 4074.45 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0925
• 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: No
• Has Fobs: No