Information card for entry 7717863

Structure parameters

• Chemical name: 10-(bis(2,6-dimethylphenyl)boraneyl)-10H-phenoxazine
• Formula: C28 H26 B N O
• Calculated formula: C28 H26 B N O
• Title of publication: Transforming Delayed Fluorescence to Blue-shifted Phosphorescence in Aminoboranes via Oxygen-to-Sulfur Substitution on the Donor Amine
• Authors of publication: Muhammed Munthasir, Akkarakkaran Thayyil; Jena, Satyam; Thilagar, P.
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• a: 9.6034 ± 0.0002 Å
• b: 10.4382 ± 0.0003 Å
• c: 12.1561 ± 0.0003 Å
• α: 101.682 ± 0.001°
• β: 103.81 ± 0.001°
• γ: 104.221 ± 0.001°
• Cell volume: 1102.05 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0706
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No