Information card for entry 7050240

Structure parameters

• Formula: C32 H28 N2
• Calculated formula: C32 H28 N2
• SMILES: n12c3c(cc1[C@](C)([C@@](C)([C@@]12Nc2c(C1)cccc2)c1ccccc1)c1ccccc1)cccc3.n12c3c(cc1[C@@](C)([C@](C)([C@]12Nc2c(C1)cccc2)c1ccccc1)c1ccccc1)cccc3
• 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: 10.1741 ± 0.0008 Å
• b: 10.6139 ± 0.0009 Å
• c: 11.3542 ± 0.0009 Å
• α: 97.425 ± 0.001°
• β: 90.136 ± 0.001°
• γ: 110.437 ± 0.001°
• Cell volume: 1137.81 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No