Information card for entry 7127063

Structure parameters

• Formula: C47 H37 Cl3 N2 O8 S2
• Calculated formula: C46 H36 N2 O8 S2
• 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: 10.6018 ± 0.0007 Å
• b: 13.9495 ± 0.0008 Å
• c: 15.1107 ± 0.0009 Å
• α: 85.675 ± 0.005°
• β: 86.516 ± 0.005°
• γ: 74.883 ± 0.005°
• Cell volume: 2149.3 ± 0.2 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0986
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.2057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No