Information card for entry 2232635

Structure parameters

• Chemical name: 2,2'-(3,3'-Dihexyl-2,2'-bithiophene-5,5'-diyl)bis(4,4,5,5-tetramethyl- 1,3,2-dioxaborolane)
• Formula: C32 H52 B2 O4 S2
• Calculated formula: C32 H52 B2 O4 S2
• SMILES: B1(c2cc(c(c3c(cc(B4OC(C(C)(C)O4)(C)C)s3)CCCCCC)s2)CCCCCC)OC(C)(C)C(C)(C)O1
• Title of publication: 2,2'-(3,3'-Dihexyl-2,2'-bithiophene-5,5'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
• Authors of publication: Huang, Lin; Li, Huisheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3512
• a: 11.5004 ± 0.0011 Å
• b: 13.6992 ± 0.0013 Å
• c: 21.3 ± 0.002 Å
• α: 90°
• β: 91.065 ± 0.002°
• γ: 90°
• Cell volume: 3355.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0509
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes