Information card for entry 1508948

Structure parameters

• Formula: C19 H19 N O
• Calculated formula: C19 H19 N O
• SMILES: n1(c(=O)c(c(c2c1cccc2)C(C)C)C)c1ccccc1
• Title of publication: Synthesis of Quinolones by Nickel-Catalyzed Cycloaddition via Elimination of Nitrile.
• Authors of publication: Nakai, Kenichiro; Kurahashi, Takuya; Matsubara, Seijiro
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 856 - 859
• a: 8.8897 ± 0.0013 Å
• b: 17.783 ± 0.003 Å
• c: 10.6532 ± 0.0015 Å
• α: 90°
• β: 112.329 ± 0.002°
• γ: 90°
• Cell volume: 1557.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.059
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No