Information card for entry 1532463

Structure parameters

• Formula: C15 H20 N2 O2
• Calculated formula: C15 H20 N2 O2
• SMILES: O=C1c2ccc(nc2CC(C1)(C)C)N1CCOCC1
• Title of publication: A novel, efficient, and recyclable biocatalyst for Michael addition reactions and its iron(iii) complex as promoter for alkyl oxidation reactions
• Authors of publication: Khalil, Khaled D.; Ibrahim, Enas I.; Al-Sagheer, Fakhreia A.
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 1410
• a: 14.476 ± 0.0006 Å
• b: 6.097 ± 0.00017 Å
• c: 16.8438 ± 0.0007 Å
• α: 90°
• β: 104.788 ± 0.0019°
• γ: 90°
• Cell volume: 1437.39 ± 0.09 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.3238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No