Information card for entry 7058847

Structure parameters

• Common name: difluorinated dithienyl-DPP
• Chemical name: 2,5-diethyl-3,6-bis(4-fluorothiophen-2-yl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione
• Formula: C18 H14 F2 N2 O2 S2
• Calculated formula: C18 H14 F2 N2 O2 S2
• Title of publication: Fluorinated dithienyl-diketopyrrolopyrrole: a new building block for organic optoelectronic materials
• Authors of publication: Wang, Xiaohua; Jiang, Bin; Du, Chenchen; Ren, Xiaolei; Duan, Zhiming; Wang, Hongyu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 16411
• a: 4.526 ± 0.0009 Å
• b: 18.489 ± 0.004 Å
• c: 19.838 ± 0.004 Å
• α: 90°
• β: 97.22 ± 0.03°
• γ: 90°
• Cell volume: 1646.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0401
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.65251 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No