Information card for entry 7157061

Structure parameters

• Formula: C31 H21 N O2 S2
• Calculated formula: C31 H21 N O2 S2
• Title of publication: Thioarylmaleimides: Accessible, tunable, and strongly emissive building blocks
• Authors of publication: Price, Jayden; Albright, Emily; Decken, Andreas; Eisler, Sara
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2019
• a: 32.295 ± 0.004 Å
• b: 10.4015 ± 0.0011 Å
• c: 30.021 ± 0.004 Å
• α: 90°
• β: 102.706 ± 0.003°
• γ: 90°
• Cell volume: 9838 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No