Information card for entry 7112835

Structure parameters

• Formula: C24 H29 N O2
• Calculated formula: C24 H29 N O2
• SMILES: O=C1N(c2c(C(C)(C)C)cccc2)C2(OC1c1ccccc1)CCCCC2
• 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: 8.7836 ± 0.0018 Å
• b: 10.399 ± 0.002 Å
• c: 22.804 ± 0.005 Å
• α: 90°
• β: 99.457 ± 0.003°
• γ: 90°
• Cell volume: 2054.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0784
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No