Information card for entry 7112833

Structure parameters

• Formula: C21 H25 N O2
• Calculated formula: C21 H25 N O2
• SMILES: O=C1N(c2c(C(C)(C)C)cccc2)C(OC1c1ccccc1)(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: 9.354 ± 0.004 Å
• b: 9.792 ± 0.005 Å
• c: 10.162 ± 0.005 Å
• α: 79.581 ± 0.009°
• β: 85.526 ± 0.01°
• γ: 87.199 ± 0.01°
• Cell volume: 912.1 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1201
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No