Information card for entry 1504548

Structure parameters

• Formula: C40 H24 F18 N2 O4
• Calculated formula: C40 H24 F18 N2 O4
• SMILES: FC(F)(c1cc2C(=O)N(C(=O)c3ccc4c5c(cc6C(=O)N(C(=O)c7ccc(c1c4c23)c5c67)CCCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC)C(F)(F)C(F)(F)C(F)(F)F
• Title of publication: Air-stable n-type semiconductor: core-perfluoroalkylated perylene bisimides.
• Authors of publication: Li, Yan; Tan, Lin; Wang, Zhaohui; Qian, Hualei; Shi, Yubai; Hu, Wenping
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 529 - 532
• a: 10.4454 ± 0.001 Å
• b: 10.6947 ± 0.0012 Å
• c: 16.8558 ± 0.0016 Å
• α: 85.73 ± 0.008°
• β: 76.611 ± 0.007°
• γ: 85.383 ± 0.009°
• Cell volume: 1822.8 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No