Information card for entry 2227090

Structure parameters

• Chemical name: 1-(3,5-Diethyl-1<i>H</i>-pyrazol-1-yl)-3-phenylisoquinoline
• Formula: C22 H21 N3
• Calculated formula: C22 H21 N3
• Title of publication: 1-(3,5-Diethyl-1<i>H</i>-pyrazol-1-yl)-3-phenylisoquinoline
• Authors of publication: Khan, F. Nawaz; Manivel, P.; Roopan, S. Mohana; Hathwar, Venkatesha R.; Akkurt, Mehmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2063 - o2064
• a: 16.0736 ± 0.0017 Å
• b: 20.819 ± 0.002 Å
• c: 10.8579 ± 0.0011 Å
• α: 90°
• β: 91.071 ± 0.003°
• γ: 90°
• Cell volume: 3632.8 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes