Information card for entry 1562818

Structure parameters

• Formula: C23 H28 B10
• Calculated formula: C23 H28 B10
• SMILES: c1cc(cc2c1C(c1ccccc21)(C)C)[C]1234[C]567(c8ccccc8)[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121
• Title of publication: Strategic molecular design of closo-ortho-carboranyl luminophores to manifest thermally activated delayed fluorescence
• Authors of publication: You, Dong Kyun; So, Hyunhee; Ryu, Chan Hee; Kim, Mingi; Lee, Kang Mun
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 11.777 ± 0.002 Å
• b: 13.127 ± 0.003 Å
• c: 15.795 ± 0.003 Å
• α: 90 ± 0.03°
• β: 87.43 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 2439.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1702
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No