Information card for entry 2216520

Structure parameters

• Chemical name: 2-(3-Oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrrolo[1,2-<i>c</i>]imidazol-1-yl)- N-phenyl-2-(2,4,6-trimethylphenyl)acetamide ethyl acetate solvate
• Formula: C32 H34 N4 O4
• Calculated formula: C32 H34 N4 O4
• SMILES: O=C1n2cccc2C(N1c1ccccc1)N(C(=O)Nc1ccccc1)c1c(cc(cc1C)C)C.O(C(=O)C)CC
• Title of publication: <i>N</i>-(3-Oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrrolo[1,2-<i>c</i>]imidazol-1-yl)-<i>N</i>'-phenyl-<i>N</i>-(2,4,6-trimethylphenyl)urea ethyl acetate solvate
• Authors of publication: Imhof, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4910 - o4910
• a: 16.2289 ± 0.0011 Å
• b: 11.0873 ± 0.0007 Å
• c: 16.863 ± 0.0008 Å
• α: 90°
• β: 111.907 ± 0.004°
• γ: 90°
• Cell volume: 2815.1 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0651
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes