Information card for entry 7062894

Structure parameters

• Formula: C30 H17 F N2 O3
• Calculated formula: C30 H17 F N2 O3
• SMILES: c1cccc2c1N(c1c(O2)cccc1)c1ccc2c3c1cccc3C(=O)N(C2=O)c1ccc(cc1)F
• Title of publication: Fine-tuning of the charge-separated state energy in compact orthogonal naphthalene–phenoxazine dyads and its effect on the thermally-activated delayed fluorescence
• Authors of publication: Tang, Jieyu; Liu, Xi; Zhang, Xue; Zhao, Jianzhang; Wan, Yan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 48
• Pages of publication: 22418 - 22429
• a: 12.516 ± 0.0006 Å
• b: 12.9592 ± 0.0007 Å
• c: 13.5707 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2201.1 ± 0.2 ų
• Cell temperature: 294.8 K
• Ambient diffraction temperature: 294.8 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No