Information card for entry 7134277

Structure parameters

• Common name: CBPPN
• Chemical name: 4,5-bis(4-benzoylphenoxy)-3,6-di(9H-carbazol-9-yl)phthalonitrile
• Formula: C58 H34 N4 O4
• Calculated formula: C58 H34 N4 O4
• Title of publication: Regulation of aggregation-enhanced thermally activated delayed fluorescence in butterfly-shaped donor-acceptor conjugates.
• Authors of publication: Upadhyay, Manoj; Ray, Debdas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 26
• Pages of publication: 5015 - 5018
• a: 19.711 ± 0.004 Å
• b: 13.865 ± 0.003 Å
• c: 19.089 ± 0.005 Å
• α: 90°
• β: 106.378 ± 0.008°
• γ: 90°
• Cell volume: 5005 ± 2 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• 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: 0.1123
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.2131
• Weighted residual factors for all reflections included in the refinement: 0.2838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No