Information card for entry 7032851

Structure parameters

• Formula: C11 H16 N2 O2
• Calculated formula: C11 H16 N2 O2
• SMILES: [O-]C(=O)[C@@H]([NH2+]Cc1ncccc1)C(C)C
• 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: 5.725 ± 0.0003 Å
• b: 12.106 ± 0.0007 Å
• c: 16.413 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1137.53 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0476
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No