Information card for entry 7155453

Structure parameters

• Formula: C20 H21 N O3
• Calculated formula: C20 H21 N O3
• SMILES: O=C1N(OC(c2ccccc2)CC(C)(C)C)C(=O)c2c1cccc2
• Title of publication: Metal-free decarbonylative alkylation-aminoxidation of styrene derivatives with aliphatic aldehydes and N-hydroxyphthalimide.
• Authors of publication: Li, Yu-Xia; Wang, Qi-Qiang; Yang, Luo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 1338 - 1342
• a: 14.649 ± 0.003 Å
• b: 9.1488 ± 0.0018 Å
• c: 13.375 ± 0.003 Å
• α: 90°
• β: 102.24 ± 0.03°
• γ: 90°
• Cell volume: 1751.8 ± 0.7 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0691
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No