Information card for entry 7127065

Structure parameters

• Formula: C176 H172 N6 O12 S6
• Calculated formula: C162 H156 N6 O12 S6
• Title of publication: Synthesis, characterization and use of benzothioxanthene imide based dimers.
• Authors of publication: Andrés Castán, José María; Dalinot, Clément; Dayneko, Sergey; Abad Galan, Laura; Simón Marqués, Pablo; Alévêque, Olivier; Allain, Magali; Maury, Olivier; Favereau, Ludovic; Blanchard, Philippe; Welch, Gregory C.; Cabanetos, Clément
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 70
• Pages of publication: 10131 - 10134
• a: 45.615 ± 0.002 Å
• b: 45.615 ± 0.002 Å
• c: 12.3835 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 22314.6 ± 1.8 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1641
• Residual factor for significantly intense reflections: 0.1118
• Weighted residual factors for significantly intense reflections: 0.3372
• Weighted residual factors for all reflections included in the refinement: 0.3908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No