Information card for entry 4027097

Structure parameters

• Formula: C24 H20 Br N O2 Se
• Calculated formula: C24 H20 Br N O2 Se
• SMILES: BrC/C(=C(\C1(O)C(=O)N(C)c2c1cccc2)c1ccccc1)[Se]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: 9.2292 ± 0.0013 Å
• b: 13.5016 ± 0.0019 Å
• c: 18.493 ± 0.003 Å
• α: 72.535 ± 0.002°
• β: 81.06 ± 0.003°
• γ: 76.979 ± 0.003°
• Cell volume: 2132.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2553
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No