Information card for entry 1543214

Structure parameters

• Formula: C25 H21 N O4
• Calculated formula: C25 H21 N O4
• SMILES: c1ccccc1CN1C(=O)COC1C(C(=O)c1ccccc1)C(=O)c1ccccc1
• Title of publication: Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation.
• Authors of publication: El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 2383 - 2386
• a: 6.1861 ± 0.0002 Å
• b: 14.2021 ± 0.0005 Å
• c: 22.962 ± 0.0011 Å
• α: 90°
• β: 94.024 ± 0.002°
• γ: 90°
• Cell volume: 2012.37 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1038
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No