Information card for entry 1567498

Structure parameters

• Formula: C45 H46 Cl2 N2 O2
• Calculated formula: C45 H46 Cl2 N2 O2
• Title of publication: Tandem rigidification and π-extension as a key tool for the development of a narrow linewidth yellow hyperfluorescent OLED system
• Authors of publication: Bartkowski, Krzysztof; Zimmermann Crocomo, Paola; Kochman, Michał Andrzej; Kumar, Dharmandra; Kubas, Adam; Data, Przemysław; Lindner, Marcin
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 8.6461 ± 0.0002 Å
• b: 14.5796 ± 0.0003 Å
• c: 15.3848 ± 0.0003 Å
• α: 99.024 ± 0.002°
• β: 95.585 ± 0.002°
• γ: 104.779 ± 0.002°
• Cell volume: 1832.74 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0404
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No