Information card for entry 2213954

Structure parameters

• Chemical name: 5,5'-Dimethyl-4,4'-bis[2-(2-methyl-3-thienyl)cyclopentenyl]-2,2'-bithiophene
• Formula: C30 H30 S4
• Calculated formula: C30 H30 S4
• SMILES: Cc1sc(cc1C1=C(CCC1)c1ccsc1C)c1sc(c(c1)C1=C(CCC1)c1ccsc1C)C
• Title of publication: 5,5'-Dimethyl-4,4'-bis[2-(2-methyl-3-thienyl)cyclopentenyl]-2,2'-bithiophene
• Authors of publication: Wissler, Jörg; Mulder, Alart; Tampé, Robert; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2813 - o2814
• a: 9.3105 ± 0.0007 Å
• b: 14.0233 ± 0.0014 Å
• c: 10.2143 ± 0.0008 Å
• α: 90°
• β: 96.901 ± 0.006°
• γ: 90°
• Cell volume: 1324 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes