Information card for entry 1572761

Structure parameters

• Formula: C49.5 H37 Cl N8
• Calculated formula: C49 H36 N8
• Title of publication: Tunable electrochemiluminescence of TADF luminophores: manipulating efficiency and unveiling water-soluble emitters.
• Authors of publication: Fracassa, Alessandro; Calogero, Francesco; Pavan, Giulio; Nikolaou, Pavlos; Fermi, Andrea; Ceroni, Paola; Paolucci, Francesco; Cozzi, Pier Giorgio; Scattolin, Thomas; Demitri, Nicola; Negri, Fabrizia; Gualandi, Andrea; Aliprandi, Alessandro; Valenti, Giovanni
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 43
• Pages of publication: 17892 - 17899
• a: 13.982 ± 0.003 Å
• b: 12.019 ± 0.002 Å
• c: 23.87 ± 0.005 Å
• α: 90°
• β: 97.56 ± 0.03°
• γ: 90°
• Cell volume: 3976.5 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.62 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No