Information card for entry 7115764

Structure parameters

• Common name: none
• Chemical name: C8F-4ClPDI
• Formula: C40 H8 Cl4 F30 N2 O4
• Calculated formula: C40 H8 Cl4 F30 N2 O4
• SMILES: Clc1cc2C(=O)N(C(=O)c3cc(Cl)c4c5c(Cl)cc6C(=O)N(C(=O)c7cc(Cl)c(c1c4c23)c5c67)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• Title of publication: High performance, air stable n-type single crystal transistors based on core-tetrachlorinated perylene diimides
• Authors of publication: Chunming Liu; Chengyi Xiao; Yan Li; Wenping Hu; Zhibo Li; Zhaohui Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 12462
• a: 20.971 ± 0.009 Å
• b: 20.21 ± 0.009 Å
• c: 10.319 ± 0.005 Å
• α: 90°
• β: 95.733 ± 0.007°
• γ: 90°
• Cell volume: 4352 ± 3 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• 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: 0.1118
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2436
• Weighted residual factors for all reflections included in the refinement: 0.2576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No