Information card for entry 2009332

Structure parameters

• Chemical name: 5-Cyano-4-(4-methoxyphenyl)-3,6-diphenyl-4,7-dihydro-2H-pyrazolo- [3,4-b]pyridine
• Formula: C26 H20 N4 O
• Calculated formula: C26 H20 N4 O
• SMILES: n1[nH]c(c2C(C(=C(Nc12)c1ccccc1)C#N)c1ccc(cc1)OC)c1ccccc1
• Title of publication: Three 3-aryl-5-cyanopyrazolo[3,4-<i>b</i>]pyridines
• Authors of publication: Quiroga, Jairo; Cruz, Silvia; Insuasty, Braulio; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo; Low, John Nicolson
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: IUC9900168
• a: 15.6264 ± 0.0003 Å
• b: 12.4397 ± 0.0002 Å
• c: 21.1296 ± 0.0004 Å
• α: 90°
• β: 91.4371 ± 0.0009°
• γ: 90°
• Cell volume: 4106.04 ± 0.13 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes