Information card for entry 7708008

Structure parameters

• Formula: C28 H36 Cu N2 O2
• Calculated formula: C28 H36 Cu N2 O2
• SMILES: [Cu]123Oc4c(cc(cc4C=[N]2[C@H]2CCCC[C@@H]2[N]3=Cc2ccccc2O1)C(C)(C)C)C(C)(C)C.[Cu]123Oc4c(cc(cc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2ccccc2O1)C(C)(C)C)C(C)(C)C
• Title of publication: Breaking the symmetry: <i>C</i>₁-salans with (N-H) backbones.
• Authors of publication: Devonport, Jack; Spencer, John; Kostakis, George E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 35
• Pages of publication: 12069 - 12073
• a: 9.467 ± 0.0005 Å
• b: 10.0851 ± 0.0007 Å
• c: 13.729 ± 0.0009 Å
• α: 86.427 ± 0.006°
• β: 78.259 ± 0.005°
• γ: 76.948 ± 0.005°
• Cell volume: 1250.02 ± 0.14 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No