Information card for entry 1502369

Structure parameters

• Formula: C23 H24 N2 O2
• Calculated formula: C23 H24 N2 O2
• SMILES: [C@]12(C(=O)CC(C1)(C)C)C(=O)N(c1ccccc1)N[C@H]2/C=C/c1ccccc1.[C@@]12(C(=O)CC(C1)(C)C)C(=O)N(c1ccccc1)N[C@@H]2/C=C/c1ccccc1
• Title of publication: 1,3-Dipolar cycloaddition of hydrazones with α-oxo-ketenes: a three-component stereoselective entry to pyrazolidinones and an original class of spirooxindoles.
• Authors of publication: Presset, Marc; Mohanan, Kishor; Hamann, Marie; Coquerel, Yoann; Rodriguez, Jean
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 15
• Pages of publication: 4124 - 4127
• a: 12.589 ± 0.0003 Å
• b: 9.3093 ± 0.0002 Å
• c: 18.3114 ± 0.0005 Å
• α: 90°
• β: 105.36°
• γ: 90°
• Cell volume: 2069.35 ± 0.09 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.142
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No