Information card for entry 4131233

Structure parameters

• Formula: C28 H22 Br2 N4 O2.66 S2
• Calculated formula: C28 H22 Br2 N4 O2.664 S2
• Title of publication: Thiazolothiazole Fluorophores Exhibiting Strong Fluorescence and Viologen-Like Reversible Electrochromism.
• Authors of publication: Woodward, Alexis N.; Kolesar, Justin M.; Hall, Sara R.; Saleh, Nemah-Allah; Jones, Daniel S.; Walter, Michael G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 25
• Pages of publication: 8467 - 8473
• a: 7.5646 ± 0.0003 Å
• b: 12.0747 ± 0.0007 Å
• c: 16.7895 ± 0.0008 Å
• α: 106.725 ± 0.005°
• β: 98.214 ± 0.004°
• γ: 98.25 ± 0.004°
• Cell volume: 1425.78 ± 0.13 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0712
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No