Information card for entry 1504169

Structure parameters

• Formula: C25 H27 N3 O3
• Calculated formula: C25 H27 N3 O3
• SMILES: O=C(NC(C)(C)C)C(N(Cc1ccccc1)c1ccccc1N(=O)=O)c1ccccc1
• Title of publication: Highly efficient oxidation of amines to imines by singlet oxygen and its application in Ugi-type reactions.
• Authors of publication: Jiang, Gaoxi; Chen, Jian; Huang, Jie-Sheng; Che, Chi-Ming
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 20
• Pages of publication: 4568 - 4571
• a: 9.7384 ± 0.0009 Å
• b: 12.008 ± 0.0012 Å
• c: 19.3474 ± 0.0018 Å
• α: 90°
• β: 94.943 ± 0.002°
• γ: 90°
• Cell volume: 2254 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No