Information card for entry 1566738

Structure parameters

• Common name: 10,10'-(7-methyl-2,4-diphenylquinoline-6,8-diyl)bis(10H-phenoxazine)
• Chemical name: 10,10'-(7-methyl-2,4-diphenylquinoline-6,8-diyl)bis(10H-phenoxazine)
• Formula: C46 H31 N3 O2
• Calculated formula: C46 H31 N3 O2
• SMILES: n1c(cc(c2ccccc2)c2c1c(N1c3c(Oc4c1cccc4)cccc3)c(c(N1c3c(Oc4c1cccc4)cccc3)c2)C)c1ccccc1
• Title of publication: Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in Asymmetric Phenoxazine-Quinoline (D2–A) Conjugates and Dual Electroluminescence
• Authors of publication: Dey, Suvendu; Hasan, Monirul; Shukla, Atul; Acharya, Nirmalya; Upadhyay, Manoj; Lo, Shih-Chun; Namdas, Ebinazar B.; Ray, Debdas
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2022
• Journal volume: 126
• Journal issue: 12
• Pages of publication: 5649 - 5657
• a: 12.1514 ± 0.0012 Å
• b: 26.995 ± 0.002 Å
• c: 10.64 ± 0.001 Å
• α: 90°
• β: 99.479 ± 0.003°
• γ: 90°
• Cell volume: 3442.6 ± 0.5 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1476
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1729
• Weighted residual factors for all reflections included in the refinement: 0.2335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No