Information card for entry 7204991

Structure parameters

• Formula: C23 H20 N2 O4
• Calculated formula: C23 H20 N2 O4
• SMILES: c1ccccc1[C@@H]1COC(=O)N1[C@@H]1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1
• Title of publication: 4-Phenyloxazolidin-2-ones and isoindolin-1-ones: chiral auxiliaries for Diels‒Alder reactions of N-substituted 1,3-dienes
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 1
• Pages of publication: 69
• a: 9.6451 ± 0.0007 Å
• b: 9.5458 ± 0.0007 Å
• c: 9.9442 ± 0.0008 Å
• α: 90°
• β: 99.358 ± 0.002°
• γ: 90°
• Cell volume: 903.38 ± 0.12 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No