Information card for entry 2205528

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(cc(c(C)s1)C1=C(CCC1)c1cc(Cl)sc1C)Cl
• Title of publication: 1,2-Bis(5-chloro-2-methyl-3-thienyl)cyclopentene
• Authors of publication: Guan, Jin-Tao; Yin, Jun; Yu, Guang-Ao; Liu, Sheng-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o951 - o952
• a: 8.8423 ± 0.0008 Å
• b: 12.2784 ± 0.0011 Å
• c: 14.438 ± 0.0013 Å
• α: 90°
• β: 101.374 ± 0.002°
• γ: 90°
• Cell volume: 1536.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0814
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes