Information card for entry 7155264

Structure parameters

• Formula: C19 H14 N2
• Calculated formula: C19 H14 N2
• SMILES: c12ccccc1cc1cnc(cc1n2)c1ccc(cc1)C
• Title of publication: Palladium meets copper: one-pot tandem synthesis of pyrido fused heterocycles via Sonogashira conjoined electrophilic cyclization.
• Authors of publication: Kumar, Sonu; Saunthwal, Rakesh K.; Aggarwal, Trapti; Kotla, Siva K Reddy; Verma, Akhilesh K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 38
• Pages of publication: 9063 - 9071
• a: 13.739 ± 0.005 Å
• b: 5.908 ± 0.005 Å
• c: 17.319 ± 0.005 Å
• α: 90 ± 0.005°
• β: 91.208 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1405.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0823
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No