Information card for entry 2003656

Structure parameters

• Formula: C24 H38 O2 S2
• Calculated formula: C24 H38 O2 S2
• SMILES: CCCCCCCCOc1ccsc1c1sccc1OCCCCCCCC
• Title of publication: 3,3'-Bis(octyloxy)-2,2'-bithiophene at 195 K
• Authors of publication: Pelletier, M.; Brisse, F.; Cloutier, R.; Leclerc, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1394 - 1397
• a: 11.968 ± 0.002 Å
• b: 7.34 ± 0.001 Å
• c: 13.539 ± 0.002 Å
• α: 90°
• β: 99.77 ± 0.01°
• γ: 90°
• Cell volume: 1172.1 ± 0.3 ų
• Cell temperature: 195 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 significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 1.749
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No