Information card for entry 2203611

Structure parameters

• Chemical name: 2,3,4,6-Tetraphenyl-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one
• Formula: C29 H20 N4 O
• Calculated formula: C29 H20 N4 O
• SMILES: O=c1n(nc(c2c1nn(c2c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 2,3,4,6-Tetraphenyl-2<i>H</i>-pyrazolo[3,4-<i>d</i>]pyridazin-7(6<i>H</i>)-one
• Authors of publication: Dinçer, Muharrem; Özdemir, Namık; Yıldırım, İsmail; Demir, Elif; Akçamur, Yunus; Işık, Şamil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o807 - o809
• a: 10.2616 ± 0.0012 Å
• b: 10.5057 ± 0.0012 Å
• c: 21.264 ± 0.002 Å
• α: 95.064 ± 0.009°
• β: 93.438 ± 0.009°
• γ: 102.158 ± 0.009°
• Cell volume: 2224.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 0.808
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes