Information card for entry 4027098

Structure parameters

• Formula: C19 H17 N O2 Se
• Calculated formula: C19 H17 N O2 Se
• SMILES: [Se](C(=C)C1(C(=O)C(=O)N(c2c1cccc2)C)C)c1ccccc1
• Title of publication: Ring Enlargement versus Selenoetherification on the Reaction of Allenyl Oxindoles with Selenenylating Reagents
• Authors of publication: Benito Alcaide; Pedro Almendros; Amparo Luna; Gonzalo Gómez-Campillos; M. Rosario Torres
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 3549 - 3556
• a: 12.36 ± 0.002 Å
• b: 12.862 ± 0.003 Å
• c: 22.211 ± 0.004 Å
• α: 90°
• β: 104.886 ± 0.004°
• γ: 90°
• Cell volume: 3412.5 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.198
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.2423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No