Information card for entry 2202850

Structure parameters

• Chemical name: 3,5-Dimethyl-1,4,7-triphenyl-1H,7H-pyrazolo[3,4-b:4',3'-e]pyridine
• Formula: C27 H21 N5
• Calculated formula: C27 H21 N5
• SMILES: n1c2n(nc(c2c(c2c(nn(c12)c1ccccc1)C)c1ccccc1)C)c1ccccc1
• Title of publication: 3,5-Dimethyl-1,4,7-triphenyl-1<i>H</i>,7<i>H</i>-pyrazolo[3,4-<i>b</i>:4',3'-<i>e</i>]pyridine
• Authors of publication: Low, John Nicolson; Cobo, Justo; Portilla, Jaime; Quiroga, Jairo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1330 - o1331
• a: 8.5006 ± 0.0002 Å
• b: 10.5829 ± 0.0003 Å
• c: 12.4093 ± 0.0003 Å
• α: 106.077 ± 0.0012°
• β: 97.6152 ± 0.0015°
• γ: 100.675 ± 0.001°
• Cell volume: 1033.96 ± 0.05 ų
• Cell temperature: 120 ± 0.2 K
• Ambient diffraction temperature: 120 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No