Information card for entry 7233833

Structure parameters

• Formula: C16 H8 F2 N2 O2
• Calculated formula: C16 H8 F2 N2 O2
• 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: 8.273 ± 0.001 Å
• b: 6.0598 ± 0.0004 Å
• c: 12.25 ± 0.0007 Å
• α: 90°
• β: 101.07 ± 0.01°
• γ: 90°
• Cell volume: 602.7 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0611
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.85507 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No