Information card for entry 1504547

Structure parameters

• Formula: C40 H10 F32 N2 O4
• Calculated formula: C40 H10 F32 N2 O4
• SMILES: N1(CC(F)(F)C(F)(F)C(F)(F)F)C(=O)c2ccc3c4c(c(cc(C1=O)c24)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)c1c2c3c(cc3C(=O)N(C(=O)c(cc1)c23)CC(C(C(F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)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: 10.57 ± 0.003 Å
• b: 12.885 ± 0.003 Å
• c: 16.682 ± 0.004 Å
• α: 66.858 ± 0.01°
• β: 76.524 ± 0.015°
• γ: 84.62 ± 0.017°
• Cell volume: 2031.7 ± 0.9 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: 0.0917
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No