Information card for entry 2003707

Structure parameters

• Chemical name: 1-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-3-etoxycarbonyl- 2-methyl-pyrrole
• Formula: C20 H16 Cl3 N O2
• Calculated formula: C20 H16 Cl3 N O2
• SMILES: CCOC(=O)c1cc(n(c1C)c1ccc(cc1Cl)Cl)c1ccc(cc1)Cl
• Title of publication: A 1,5-Diarylpyrrole Derivative
• Authors of publication: Bachechi, F.; Gavuzzo, E.; Cerreto, F.; Scalzo, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1431 - 1434
• a: 6.504 ± 0.002 Å
• b: 13.121 ± 0.002 Å
• c: 22.192 ± 0.002 Å
• α: 90°
• β: 92.37 ± 0.02°
• γ: 90°
• Cell volume: 1892.2 ± 0.7 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for significantly intense reflections: 2.36
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No