Information card for entry 7112831

Structure parameters

• Formula: C21 H25 N O2
• Calculated formula: C21 H25 N O2
• SMILES: c1ccc(cc1)C(=O)C(=O)N(C(C)C)c1ccccc1C(C)(C)C
• Title of publication: Photochemical type II reaction of atropchiral benzoylformamides to point chiral oxazolidin-4-ones. Axial chiral memory leading to enantiomeric resolution of photoproducts.
• Authors of publication: Jesuraj, Josepha L.; Sivaguru, J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 4791 - 4793
• a: 8.698 ± 0.004 Å
• b: 16.685 ± 0.008 Å
• c: 13.029 ± 0.006 Å
• α: 90°
• β: 99.478 ± 0.009°
• γ: 90°
• Cell volume: 1865 ± 1.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No