Information card for entry 7247793

Structure parameters

• Formula: C69.25 H68.05 Cl0.45 N6
• Calculated formula: C69.174 H67.886 Cl0.42 N6
• Title of publication: Tailoring thermally activated delayed fluorescence emitters for efficient electrochemiluminescence with tripropylamine as coreactant
• Authors of publication: Morgan, Luca; Pavan, Giulio; Demitri, Nicola; Alberoni, Chiara; Scattolin, Thomas; Roverso, Marco; Bogialli, Sara; Aliprandi, Alessandro
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 49
• Pages of publication: 34520 - 34523
• a: 12.857 ± 0.003 Å
• b: 12.102 ± 0.002 Å
• c: 18.856 ± 0.004 Å
• α: 90°
• β: 104.22 ± 0.03°
• γ: 90°
• Cell volume: 2844 ± 1.1 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: 0.0902
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.2106
• Weighted residual factors for all reflections included in the refinement: 0.2234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.62 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No