Information card for entry 2232684

Structure parameters

• Chemical name: 3,5-Dibromo-2-[2,5-dibutoxy-4-(3,5-dibromothiophen-2-yl)phenyl]thiophene
• Formula: C22 H22 Br4 O2 S2
• Calculated formula: C22 H22 Br4 O2 S2
• SMILES: CCCCOc1cc(c(cc1c1sc(cc1Br)Br)OCCCC)c1sc(cc1Br)Br
• Title of publication: 3,5-Dibromo-2-[2,5-dibutoxy-4-(3,5-dibromothiophen-2-yl)phenyl]thiophene
• Authors of publication: Teh, Chin Hoong; Daik, Rusli; Mat Salleh, Muhammad; Mohamed Tahir, Mohamed Ibrahim; Kassim, Mohammad B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3183
• a: 13.0156 ± 0.0003 Å
• b: 7.8157 ± 0.0002 Å
• c: 12.2264 ± 0.0002 Å
• α: 90°
• β: 101.027 ± 0.002°
• γ: 90°
• Cell volume: 1220.78 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.031
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes