Information card for entry 1504979

Structure parameters

• Formula: C15 H17 N O3
• Calculated formula: C15 H17 N O3
• SMILES: [C@H]1([C@@H](C[C@@H]2C1=NOC2)C1OCCO1)c1ccccc1
• Title of publication: Sequential organocatalyzed Michael addition/[3 + 2]-heterocyclization for the stereoselective synthesis of fused-isoxazoline precursors of enantiopure cyclopentanoids.
• Authors of publication: Bonne, Damien; Salat, Lydie; Dulcère, Jean-Pierre; Rodriguez, Jean
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 23
• Pages of publication: 5409 - 5412
• a: 5.7133 ± 0.0001 Å
• b: 8.3317 ± 0.0002 Å
• c: 13.9177 ± 0.0005 Å
• α: 90°
• β: 93.992 ± 0.001°
• γ: 90°
• Cell volume: 660.9 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No