Information card for entry 1503492

Structure parameters

• Formula: C24 H19 N O
• Calculated formula: C24 H19 N O
• SMILES: O=C(Cc1c2n(c3c1cccc3)CCc1c2cccc1)c1ccccc1
• Title of publication: Visible Light Photoredox Catalysis: Generation and Addition of N-Aryltetrahydroisoquinoline-Derived α-Amino Radicals to Michael Acceptors.
• Authors of publication: Kohls, Paul; Jadhav, Deepak; Pandey, Ganesh; Reiser, Oliver
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 672 - 675
• a: 9.1545 ± 0.0005 Å
• b: 21.6152 ± 0.001 Å
• c: 8.6185 ± 0.0003 Å
• α: 90°
• β: 98.632 ± 0.004°
• γ: 90°
• Cell volume: 1686.08 ± 0.14 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No