Information card for entry 2016639

Structure parameters

• Chemical name: 3,3',5,5'-Tetramethyl-4,4'-bipyrazole‒pentafluorophenol (2/3)
• Formula: C38 H31 F15 N8 O3
• Calculated formula: C38 H31 F15 N8 O3
• Title of publication: 3,3',5,5'-Tetramethyl-4,4'-bipyrazole‒pentafluorophenol (2/3)
• Authors of publication: Domasevitch, Konstantin V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o326 - o329
• a: 6.9565 ± 0.0007 Å
• b: 41.727 ± 0.004 Å
• c: 13.4827 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3913.7 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes