Information card for entry 2241172

Structure parameters

• Common name: tris(3-methylpyrazol-1-yl)methane
• Chemical name: 1,1',1''-Methanetriyltris(3-methyl-1<i>H</i>-pyrazole)
• Formula: C13 H16 N6
• Calculated formula: C13 H16 N6
• Title of publication: Crystal structure of tris(3-methyl-1<i>H</i>-pyrazol-1-yl)methane
• Authors of publication: Goodman, Margaret A.; Goodman, M. Scott; Nazarenko, Alexander Y.; Patel, Ealin N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: o816
• a: 12.0881 ± 0.0008 Å
• b: 13.4178 ± 0.001 Å
• c: 9.0985 ± 0.0006 Å
• α: 90°
• β: 111.63 ± 0.002°
• γ: 90°
• Cell volume: 1371.82 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes