Information card for entry 7132044

Structure parameters

• Formula: C19 H19 N O3
• Calculated formula: C19 H19 N O3
• SMILES: O1N(C)[C@H]2Oc3c(C=C2C[C@@H]1c1ccc(OC)cc1)cccc3
• Title of publication: Organocatalytic (3+3)-cycloaddition of ortho-substituted phenyl nitrones with aryl cyclopropane carbaldehydes: A facile access towards the synthesis of enantioenriched 1,2-oxazinanes
• Authors of publication: Hazra, Arijit; Ghosh, Asit; Yadav, Neeraj; Banerjee, Prabal
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 5.8734 ± 0.0003 Å
• b: 15.4556 ± 0.0007 Å
• c: 17.6587 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1603 ± 0.13 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No