Information card for entry 7708006

Structure parameters

• Formula: C24 H32 Cu N2 O2
• Calculated formula: C24 H32 Cu N2 O2
• SMILES: [Cu]123Oc4c(cccc4C[NH]2[C@H]2CCCC[C@@H]2[NH]3Cc2ccccc2O1)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: 7.6031 ± 0.0004 Å
• b: 16.8736 ± 0.0006 Å
• c: 18.7628 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2407.11 ± 0.18 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• 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: 0.0386
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No