Information card for entry 1506281

Structure parameters

• Formula: C15 H6 F6 S3
• Calculated formula: C15.83 H6 F6 S2.69
• SMILES: s1c(c2c(c1c1sccc1)C(F)(F)C(F)(F)C2(F)F)c1sccc1
• Title of publication: Electronegative oligothiophenes based on a hexafluorocyclopentene-annelated thiophene unit.
• Authors of publication: Ie, Yutaka; Umemoto, Yoshikazu; Kaneda, Takahiro; Aso, Yoshio
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 23
• Pages of publication: 5381 - 5384
• a: 15.461 ± 0.001 Å
• b: 5.7223 ± 0.0003 Å
• c: 17.076 ± 0.001 Å
• α: 90°
• β: 96.684 ± 0.002°
• γ: 90°
• Cell volume: 1500.49 ± 0.15 ų
• Cell temperature: 193.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No