Information card for entry 2219220

Structure parameters

• Chemical name: 2-(7,8-Diphenyl-1<i>H</i>-imidazo[4,5-<i>f</i>]quinoxalin-2-yl)phenol methanol disolvate
• Formula: C29 H26 N4 O3
• Calculated formula: C29 H26 N4 O3
• SMILES: Oc1ccccc1c1nc2ccc3nc(c(nc3c2[nH]1)c1ccccc1)c1ccccc1.OC.OC
• Title of publication: 2-(7,8-Diphenyl-1<i>H</i>-imidazo[4,5-<i>f</i>]quinoxalin-2-yl)phenol methanol disolvate
• Authors of publication: Fun, Hoong-Kun; Kia, Reza; Raithby, Paul R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1741 - o1742
• a: 10.512 ± 0.0003 Å
• b: 11.4574 ± 0.0002 Å
• c: 11.9983 ± 0.0002 Å
• α: 116.325 ± 0.001°
• β: 107.465 ± 0.001°
• γ: 95.147 ± 0.001°
• Cell volume: 1192.81 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes