Information card for entry 2213207

Structure parameters

• Chemical name: 6-ethyl-1-(p-flurophenyl)-5-benzene sulfonyloctahydro-cis-\ pyrrolo[3,4-b]pyrrole
• Formula: C20 H23 F N2 O2 S
• Calculated formula: C20 H23 F N2 O2 S
• SMILES: c1(ccccc1)S(=O)(=O)N1C[C@@H]2[C@H]([C@@H]1CC)N(CC2)c1ccc(cc1)F
• Title of publication: 6-Ethyl-1-(4-fluorophenyl)-5-(phenylsulfonyl)perhydro-<i>cis</i>-pyrrolo[3,4-<i>b</i>]pyrrole
• Authors of publication: S. Sundaramoorthy; D. Gayathri; D. Velmurugan; K. Ravikumar; M. Poornachandran
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2057 - o2059
• a: 7.8671 ± 0.0004 Å
• b: 13.6413 ± 0.0007 Å
• c: 17.42 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1869.47 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes