Information card for entry 7032852

Structure parameters

• Formula: C17 H18 Cu N2 O5
• Calculated formula: C17 H18 Cu N2 O5
• SMILES: [Cu]12(OC(=O)C)OC(=O)[C@@H]([NH]1Cc1[n]2cccc1)Cc1ccccc1.O
• Title of publication: Amino acid derived CuII compounds as catalysts for asymmetric oxidative coupling of 2-naphthol.
• Authors of publication: Adão, Pedro; Barroso, Sónia; Carvalho, M Fernanda N N; Teixeira, Carlos M.; Kuznetsov, Maxim L.; Pessoa, João Costa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1612 - 1626
• a: 9.312 ± 0.0004 Å
• b: 16.405 ± 0.0008 Å
• c: 24.142 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3688 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0709
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No