Information card for entry 7102373

Structure parameters

• Formula: C82 H82 Cu2 F12 N10 P2
• Calculated formula: C82 H82 Cu2 F12 N10 P2
• SMILES: CC1(C)[C@@H]2c3c([C@H]([C@H]1C2)C)nc(cc3)c1cccc2c3cccc4c5cccc6c7ccc8c([C@@H](C)[C@H]9C[C@@H]8C9(C)C)[n]7[Cu@]7([n]56)[n]5c(c6cccc(c8ccc9[C@H]%10C(C)(C)[C@H](C%10)[C@@H](c9n8)C)[n]76)cccc5c5cccc6c7ccc8c([C@@H](C)[C@H]9C[C@@H]8C9(C)C)[n]7[Cu@@]([n]12)([n]34)[n]56.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 15.5877 ± 0.0008 Å
• b: 13.2827 ± 0.0007 Å
• c: 19.0425 ± 0.001 Å
• α: 90°
• β: 101.654 ± 0.001°
• γ: 90°
• Cell volume: 3861.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0819
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No