Information card for entry 4023659

Structure parameters

• Formula: C17 H20 N2 O5
• Calculated formula: C17 H20 N2 O5
• SMILES: C(=O)(/C=C(\C(=O)C(=O)C)N(C(=O)N(C)C)Cc1ccccc1)OC
• Title of publication: Photooxygenation of 5-Dialkylamino-4-pyrrolin-3-ones. Synthesis of Highly Functionalized Ureas, 2-Oxazolidinones, and 2-Oxazolinones
• Authors of publication: Ihsan Erden; Galip Özer; Christophe Hoarau; Weiguo Cao; Jiangao Song; Christian Gärtner
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 6943 - 6945
• a: 9.8 ± 0.004 Å
• b: 35.181 ± 0.014 Å
• c: 10.149 ± 0.007 Å
• α: 90°
• β: 90.46 ± 0.05°
• γ: 90°
• Cell volume: 3499 ± 3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.1254
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.202
• Weighted residual factors for all reflections included in the refinement: 0.2261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No