Information card for entry 1502090

Structure parameters

• Chemical name: 1-tosyl-6-(4-(trifluoromethyl)phenyl)-8-(trimethylsilyl)-1,2,3,4-tetrahydro-1,7-naphthyridine
• Formula: C25 H27 F3 N2 O2 S Si
• Calculated formula: C25 H27 F3 N2 O2 S Si
• SMILES: S(=O)(=O)(N1c2c([Si](C)(C)C)nc(cc2CCC1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C
• Title of publication: Regioselective cobalt-catalyzed formation of bicyclic 3- and 4-aminopyridines.
• Authors of publication: Garcia, Pierre; Evanno, Yannick; George, Pascal; Sevrin, Mireille; Ricci, Gino; Malacria, Max; Aubert, Corinne; Gandon, Vincent
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 2030 - 2033
• a: 8.2616 ± 0.0008 Å
• b: 18.2223 ± 0.0016 Å
• c: 34.406 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5179.7 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No