Information card for entry 1504973

Structure parameters

• Chemical name: 7,7'-di(9,9-dioctylfluoren-2-yl)-4,4'-bis(2,1,3-benzothiadazole)
• Formula: C70.25 H86.25 Cl0.75 N4 S2
• Calculated formula: C70.26 H86.26 Cl0.78 N4 S2
• Title of publication: A simple route toward the synthesis of bisbenzothiadiazole derivatives.
• Authors of publication: Anant, Piyush; Lucas, Nigel T.; Jacob, Josemon
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 24
• Pages of publication: 5533 - 5536
• a: 40.494 ± 0.002 Å
• b: 15.6042 ± 0.0009 Å
• c: 9.6955 ± 0.0006 Å
• α: 90°
• β: 90.201 ± 0.002°
• γ: 90°
• Cell volume: 6126.3 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No