Information card for entry 4028082

Structure parameters

• Formula: C27 H20 N2 O
• Calculated formula: C27 H20 N2 O
• SMILES: O=C(Nc1c2c(c3ccc(C)cc3)cccc2ccc1)c1nc2c(cc1)cccc2
• Title of publication: Palladium(II)-Catalyzed Regioselective Arylation of Naphthylamides with Aryl Iodides Utilizing a Quinolinamide Bidentate System
• Authors of publication: Lehao Huang; Qian Li; Chen Wang; Chenze Qi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 3030 - 3038
• a: 8.5453 ± 0.0007 Å
• b: 12.4572 ± 0.0011 Å
• c: 19.0765 ± 0.0016 Å
• α: 95.307 ± 0.002°
• β: 98.94 ± 0.002°
• γ: 96.754 ± 0.002°
• Cell volume: 1979.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No