Information card for entry 2201917

Structure parameters

• Formula: C11 H14 Cl3 N O
• Calculated formula: C11 H14 Cl3 N O
• SMILES: C(C(=O)C1CCCC=1N1CCCC1)(Cl)(Cl)Cl
• Title of publication: 2-Trichloroacetyl-1-(1-pyrrolidinyl)cyclopentene
• Authors of publication: Kaynak, F. Betül; Özbey, Süheyla; Şenöz, Hülya; Tunoḡlu, Nazan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o833 - o835
• a: 11.4236 ± 0.001 Å
• b: 10.2623 ± 0.0009 Å
• c: 21.899 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2567.3 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes