Information card for entry 2234734

Structure parameters

• Chemical name: 3,3'-(1,4-Phenylene)bis[2-(propylamino)benzofuro[3,2-<i>d</i>]pyrimidin- 4(3<i>H</i>)-one] ethanol disolvate
• Formula: C36 H40 N6 O6
• Calculated formula: C36 H40 N6 O6
• Title of publication: 3,3'-(1,4-Phenylene)bis[2-(propylamino)benzofuro[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one] ethanol disolvate
• Authors of publication: Li, Li; Qu, Yong-Nian; Gong, Jian; Hu, Yang-Gen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1282 - o1283
• a: 10.1933 ± 0.0012 Å
• b: 13.6224 ± 0.0016 Å
• c: 12.5249 ± 0.0015 Å
• α: 90°
• β: 105.409 ± 0.002°
• γ: 90°
• Cell volume: 1676.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0665
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes