Information card for entry 2212916

Structure parameters

• Chemical name: 2-(4-Hydroxy-3,5-dimethoxyphenyl)-1H-phenanthro[9,10-d]imidazole methanol solvate
• Formula: C24 H22 N2 O4
• Calculated formula: C24 H22 N2 O4
• SMILES: Oc1c(OC)cc(cc1OC)c1nc2c([nH]1)c1ccccc1c1ccccc21.OC
• Title of publication: 2-(4-Hydroxy-3,5-dimethoxyphenyl)-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole methanol solvate
• Authors of publication: Yi-Feng Sun; Yi-Ping Cui; Ji-Kui Li; Ze-Bao Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1751 - o1752
• a: 9.7239 ± 0.0009 Å
• b: 16.7101 ± 0.0016 Å
• c: 12.6525 ± 0.0013 Å
• α: 90°
• β: 105.029 ± 0.005°
• γ: 90°
• Cell volume: 1985.5 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes