Information card for entry 2222447

Structure parameters

• Chemical name: 2-(4-<i>tert</i>-Butylphenyl)-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10] phenanthroline sesquihydrate
• Formula: C23 H23 N4 O1.5
• Calculated formula: C23 H23 N4 O1.5
• Title of publication: 2-(4-<i>tert</i>-Butylphenyl)-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline sesquihydrate
• Authors of publication: Zheng, Chun-Yang; Sun, Ting-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1471
• a: 14.809 ± 0.004 Å
• b: 14.809 ± 0.004 Å
• c: 18.281 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4009 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.284
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes