Information card for entry 7062857

Structure parameters

• Common name: 2,2'-(3,3''-dihexyl-[2,2':5',2''-terthiophene]-5,5''-diyl)bis(1-octyl-1H-phenanthro[9,10-d]imidazole
• Chemical name: 2,2'-(3,3''-dihexyl-[2,2':5',2''-terthiophene]-5,5''-diyl)bis(1-octyl-1H-phenanthro[9,10-d]imidazole
• Formula: C70 H78 N4 S3
• Calculated formula: C70 H78 N4 S3
• Title of publication: Enhancing thermoelectric performance of single-walled carbon nanotube/reduced graphene oxide composites with small organic molecules as a novel additive
• Authors of publication: Jang, Jae Gyu; Kim, Tae-hoon; Kim, Sung Hyun; Hong, Jong-In
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 47
• Pages of publication: 21692 - 21699
• a: 25.5231 ± 0.0013 Å
• b: 18.844 ± 0.0005 Å
• c: 12.4455 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5985.8 ± 0.4 ų
• Cell temperature: 292.9 ± 0.8 K
• Ambient diffraction temperature: 292.9 ± 0.8 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No