Information card for entry 7233834

Structure parameters

• Formula: C18 H8 F6 N2 O2
• Calculated formula: C18 H8 F6 N2 O2
• SMILES: FC(F)(F)c1ccc2C(=O)/C(=C3\Nc4c(C3=O)ccc(c4)C(F)(F)F)Nc2c1
• Title of publication: Design of indigo derivatives as environment-friendly organic semiconductors for sustainable organic electronics
• Authors of publication: I. V. Klimovich; L. I. Leshanskaya; S. I. Troyanov; D. V. Anokhin; D. V. Novikov; A. A. Piryazev; D. A. Ivanov; N. N. Dremova; P. A. Troshin
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 7621 - 7631
• a: 28.211 ± 0.001 Å
• b: 8.6741 ± 0.0007 Å
• c: 12.6299 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3090.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.84344 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No