Information card for entry 7233858

Structure parameters

• Common name: DTI
• Chemical name: 6,6?-dithienylindigo
• Formula: C24 H14 N2 O2 S2
• Calculated formula: C24 H14 N2 O2 S2
• Title of publication: Air-stable organic semiconductors based on 6,6'-dithienylindigo and polymers thereof
• Authors of publication: E. D. Glowacki; D. H. Apaydin; Z. Bozkurt; U. Monkowius; K. Demirak; E. Tordin; M. Himmelsbach; C. Schwarzinger; M. Burian; R. T. Lechner; N. Demitri; G. Voss; N. S. Sariciftci
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 8089 - 8097
• a: 6.732 ± 0.0009 Å
• b: 4.781 ± 0.0002 Å
• c: 28.098 ± 0.001 Å
• α: 90°
• β: 91.932 ± 0.009°
• γ: 90°
• Cell volume: 903.84 ± 0.13 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: 0.0469
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No