Information card for entry 7102372

Structure parameters

• Formula: C74 H96 Cl2 Cu2 N6 O9
• Calculated formula: C74 H94 Cl2 Cu2 N6 O9
• SMILES: CCCC[C@H]1[C@H]2C[C@@H](c3c1[n]1c(cc3)c3cccc4c5ccc6c([C@H]([C@H]7C[C@@H]6C7(C)C)CCCC)[n]5[Cu@]56[Cu]1([n]34)[n]1c3[C@@H](CCCC)[C@H]4C[C@@H](c3ccc1c1cccc(c3ccc8c([C@H]([C@H]9C[C@@H]8C9(C)C)CCCC)[n]63)[n]51)C4(C)C)C2(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Supramolecular double helical Cu(I) complexes for asymmetric cyclopropanation.
• Authors of publication: Yeung, Chi-Tung; Yeung, Ho-Lun; Tsang, Chui-Shan; Wong, Wai-Yeung; Kwong, Hoi-Lun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 48
• Pages of publication: 5203 - 5205
• a: 14.9614 ± 0.0009 Å
• b: 14.0008 ± 0.0009 Å
• c: 18.179 ± 0.0011 Å
• α: 90°
• β: 95.073 ± 0.001°
• γ: 90°
• Cell volume: 3793.1 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1456
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No