Information card for entry 7118676

Structure parameters

• Formula: C24 H26 N2
• Calculated formula: C24 H26 N2
• SMILES: [C@H]1(CCCN1c1ccccc1)[C@@H](Cc1ccccn1)c1ccc(cc1)C.[C@@H]1(CCCN1c1ccccc1)[C@H](Cc1ccccn1)c1ccc(cc1)C
• Title of publication: Brønsted acid-catalysed conjugate addition of photochemically generated α-amino radicals to alkenylpyridines.
• Authors of publication: Hepburn, Hamish B.; Melchiorre, Paolo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 17
• Pages of publication: 3520 - 3523
• a: 11.9458 ± 0.0004 Å
• b: 12.6538 ± 0.0004 Å
• c: 25.2208 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3812.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No