Information card for entry 1514771

Structure parameters

• Formula: C44 H38 F6 N4 O8 S2
• Calculated formula: C44 H30 F6 N4 O6 S2
• Title of publication: Multicolor fluorescence and electroluminescence of an ICT-type organic solid tuned by modulating the accepting nature of the central core
• Authors of publication: Wang, Kai; Huang, Shuo; Zhang, Yu; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 8
• Pages of publication: 3288
• a: 11.445 ± 0.002 Å
• b: 12.104 ± 0.002 Å
• c: 17.978 ± 0.004 Å
• α: 77.35 ± 0.03°
• β: 76.4 ± 0.03°
• γ: 65.63 ± 0.03°
• Cell volume: 2184 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1603
• Residual factor for significantly intense reflections: 0.1054
• Weighted residual factors for significantly intense reflections: 0.2949
• Weighted residual factors for all reflections included in the refinement: 0.3367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No