Information card for entry 7134653

Structure parameters

• Formula: C28 H34 Br2 N2 O2
• Calculated formula: C28 H34 Br2 N2 O2
• Title of publication: Polysubstitution of dipyrrolonaphthyridinediones as a potent strategy towards strongly emitting fluorophores
• Authors of publication: Skonieczny, Kamil; Kielesiński, Łukasz; Grzybowski, Marek; Gryko, Daniel T.
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 55
• Pages of publication: 10178 - 10181
• a: 4.5767 ± 0.0004 Å
• b: 9.1416 ± 0.0019 Å
• c: 16.102 ± 0.0016 Å
• α: 74.174 ± 0.013°
• β: 89.89 ± 0.008°
• γ: 76.786 ± 0.012°
• Cell volume: 629.67 ± 0.16 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.279
• Weighted residual factors for all reflections included in the refinement: 0.2828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No