Information card for entry 7223481

Structure parameters

• Formula: C20 H8 Br2 O2
• Calculated formula: C20 H8 Br2 O2
• SMILES: Brc1cc2c(cc1)c1cc3c(c4c(cc(cc4)Br)C3=O)cc1C2=O
• Title of publication: Design, Synthesis, and Characterization of α,ω-Disubstituted Indeno[1,2-b]fluorene-6,12-dione-Thiophene Molecular Semiconductors. Enhancement of Ambipolar Charge Transport Through Synthetic Tailoring of Alkyl Substituents.
• Authors of publication: Ozdemir, Mehmet; Choi, Donghee; Kwon, Guhyun; Zorlu, Yunus; Kim, Hyekyoung; Kim, Myung-Gil; Seo, SungYong; Sen, Unal; Citir, Murat; Kim, Choongik; Usta, Hakan
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 3.8828 ± 0.0003 Å
• b: 13.5879 ± 0.0011 Å
• c: 14.1314 ± 0.0013 Å
• α: 90°
• β: 95.032 ± 0.006°
• γ: 90°
• Cell volume: 742.69 ± 0.11 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No