Information card for entry 2211412

Structure parameters

• Chemical name: 1,2-Bis(5-chloro-2-methyl-3-thienyl)cyclopentene
• Formula: C15 H14 Cl2 S2
• Calculated formula: C15 H14 Cl2 S2
• SMILES: C1(=C(CCC1)c1cc(Cl)sc1C)c1cc(Cl)sc1C
• Title of publication: 1,2-Bis(5-chloro-2-methyl-3-thienyl)cyclopentene
• Authors of publication: Wissler, Jörg; Mulder, Alart; Tampé, Robert; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5649 - o5650
• a: 8.7555 ± 0.0012 Å
• b: 12.272 ± 0.0014 Å
• c: 14.256 ± 0.002 Å
• α: 90°
• β: 101.513 ± 0.012°
• γ: 90°
• Cell volume: 1501 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes