Information card for entry 1562815

Structure parameters

• Formula: C23 H28 B10
• Calculated formula: C23 H28 B10
• SMILES: c1c(ccc2c1C(c1ccccc21)(C)C)[C]1234[C]567(c8ccccc8)[BH]891[BH]1%105[BH]5%116[BH]627[BH]27%11[BH]%11%105[BH]591[BH]138[BH]462[BH]7%1151
• 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: 10.315 ± 0.002 Å
• b: 10.817 ± 0.002 Å
• c: 11.741 ± 0.002 Å
• α: 89.82 ± 0.03°
• β: 77.69 ± 0.03°
• γ: 69.51 ± 0.03°
• Cell volume: 1195.3 ± 0.5 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: 0.0652
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No