Information card for entry 7104021

Structure parameters

• Common name: 3,3',5,5'-Tetramethyl-4,4'-Bipyrazole, Methanol solvate
• Chemical name: 3,3',5,5'-Tetramethyl-4,4'-Bipyrazole, Methanol solvate
• Formula: C31 H46 N12 O
• Calculated formula: C31 H46 N12 O
• Title of publication: Construction of extended networks with a trimeric pyrazole synthon
• Authors of publication: Boldog, Ishtvan; Rusanov, Eduard B.; Sieler, Joachim; Blaurock, Steffen; Domasevitch, Konstantin V.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 740 - 741
• a: 26.1826 ± 0.0013 Å
• b: 9.6386 ± 0.0004 Å
• c: 27.42 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6919.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1368
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections: 0.1148
• Weighted residual factors for significantly intense reflections: 0.0956
• Goodness-of-fit parameter for all reflections: 0.772
• Goodness-of-fit parameter for significantly intense reflections: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No