Information card for entry 7112691

Structure parameters

• Formula: C94 H136 B2 F2 K2 O16 S4
• Calculated formula: C94 H136 B2 F2 K2 O16 S4
• Title of publication: Turn-on fluorescence response upon anion binding to dimesitylboryl-functionalized quaterthiophene.
• Authors of publication: Li, Haiyan; Lalancette, Roger A.; Jäkle, Frieder
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 33
• Pages of publication: 9378 - 9380
• a: 10.7612 ± 0.0001 Å
• b: 11.4101 ± 0.0002 Å
• c: 21.9383 ± 0.0003 Å
• α: 89.5585 ± 0.0009°
• β: 88.1985 ± 0.0008°
• γ: 63.2907 ± 0.0007°
• Cell volume: 2405.05 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No