Information card for entry 7234578

Structure parameters

• Formula: C46 H28 Cl6 O4 S2
• Calculated formula: C46 H28 Cl6 O4 S2
• SMILES: C12(c3ccccc3c3cc4c5ccccc5C5(c4cc13)c1ccccc1S(=O)(=O)c1ccccc51)c1ccccc1S(=O)(=O)c1ccccc21.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Thioxanthene and dioxothioxanthene dihydroindeno[2,1-b]fluorenes: synthesis, properties and applications in green and sky blue phosphorescent OLEDs
• Authors of publication: Maxime Romain; Cassandre Quinton; Denis Tondelier; Bernard Geffroy; Olivier Jeannin; Joelle Rault-Berthelot; Cyril Poriel
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 1692 - 1703
• a: 10.565 ± 0.0009 Å
• b: 14.5906 ± 0.0015 Å
• c: 14.793 ± 0.0015 Å
• α: 83.042 ± 0.005°
• β: 69.919 ± 0.004°
• γ: 76.494 ± 0.004°
• Cell volume: 2080.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0591
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No