Information card for entry 2217148

Structure parameters

• Chemical name: 2,6-Bis(1-isopropyl-5-phenyl-1H-pyrazol-3-yl)pyridine
• Formula: C29 H29 N5
• Calculated formula: C29 H29 N5
• SMILES: n1c(cccc1c1nn(c(c1)c1ccccc1)C(C)C)c1nn(c(c1)c1ccccc1)C(C)C
• Title of publication: 2,6-Bis(1-isopropyl-5-phenyl-1<i>H</i>-pyrazol-3-yl)pyridine
• Authors of publication: Ping Liu; Yong-Bo Zhou; Min-Guo Li; Cai-Xia An
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o226 - o226
• a: 9.973 ± 0.003 Å
• b: 10.172 ± 0.003 Å
• c: 14.014 ± 0.004 Å
• α: 110.94 ± 0.004°
• β: 106.494 ± 0.004°
• γ: 94.583 ± 0.004°
• Cell volume: 1246.7 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0989
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes