Information card for entry 7154509

Structure parameters

• Chemical name: 2,6-Dichloro-3,5-diphenylpyridine
• Formula: C17 H11 Cl2 N
• Calculated formula: C17 H11 Cl2 N
• SMILES: c1(nc(c(cc1c1ccccc1)c1ccccc1)Cl)Cl
• Title of publication: Synthesis of tetraarylpyridines by chemo-selective Suzuki-Miyaura reactions of 3,5-dibromo-2,6-dichloropyridine.
• Authors of publication: Reimann, Sebastian; Parpart, Silvio; Ehlers, Peter; Sharif, Muhammad; Spannenberg, Anke; Langer, Peter
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 6832 - 6838
• a: 21.3422 ± 0.0005 Å
• b: 8.1975 ± 0.0002 Å
• c: 8.0145 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1402.16 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No