Information card for entry 4026815

Structure parameters

• Chemical name: 1-(2-(dimethylamino)-4-methylphenyl)naphthalen-2-ol
• Formula: C19 H19 N O
• Calculated formula: C19 H19 N O
• SMILES: c1(c2ccccc2ccc1O)c1cc(ccc1N(C)C)C
• Title of publication: Iron-Catalyzed Regioselective Direct Oxidative Aryl-Aryl Cross-Coupling
• Authors of publication: Malapaka Chandrasekharam; Barreddi Chiranjeevi; Kankatala S. V. Gupta; B. Sridhar
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 10229 - 10235
• a: 9.302 ± 0.005 Å
• b: 8.916 ± 0.004 Å
• c: 19.097 ± 0.009 Å
• α: 90°
• β: 104.096 ± 0.001°
• γ: 90°
• Cell volume: 1536.1 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No