Information card for entry 7050241

Structure parameters

• Formula: C26 H24 N2
• Calculated formula: C26 H24 N2
• SMILES: [nH]1c(cc2c1ccc(C)c2)C(C(C)(C)C#N)(c1ccccc1)c1ccccc1
• Title of publication: Persistent radical effect in the intramolecular addition of benzylic radicals onto ketenimines: selective cross-coupling of α-(indol-2-yl)benzyl radicals with the 1-cyano-1-methylethyl radical
• Authors of publication: Mateo Alajarín; Angel Vidal; María-Mar Ortín; Delia Bautista
• Journal of publication: New J. Chem.
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 570 - 577
• a: 7.646 ± 0.001 Å
• b: 21.303 ± 0.002 Å
• c: 12.505 ± 0.001 Å
• α: 90°
• β: 104.87 ± 0.01°
• γ: 90°
• Cell volume: 1968.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0748
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.0804
• Goodness-of-fit parameter for all reflections: 0.858
• Goodness-of-fit parameter for significantly intense reflections: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No