Information card for entry 2218621

Structure parameters

• Chemical name: 2-(1H-Imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol monohydrate
• Formula: C19 H14 N4 O2
• Calculated formula: C19 H14 N4 O2
• SMILES: c1ccc2c(c3c(c4c2nc(c2c(cccc2)O)[nH]4)cccn3)n1.O
• Title of publication: 2-(1<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthrolin-2-yl)phenol monohydrate
• Authors of publication: Zhang, Wen-Zhi; Li, Li; Xiao, Ying-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1331
• a: 4.5272 ± 0.0009 Å
• b: 19.822 ± 0.004 Å
• c: 16.956 ± 0.003 Å
• α: 90°
• β: 94.15 ± 0.03°
• γ: 90°
• Cell volume: 1517.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.2351
• Residual factor for significantly intense reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.2052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes