Information card for entry 7228165

Structure parameters

• Formula: C23 H28 B10
• Calculated formula: C23 H28 B10
• SMILES: c1(cc2c(c3c(C2(C)C)cccc3)cc1)[C]1234[C]567(c8ccccc8)[BH]891[BH]1%106[BH]6%115[BH]547[BH]473[BH]329[BH]281[BH]1%106[BH]%1154[BH]7321
• Title of publication: Efficient crystallization-induced emission in fluorenyl-tethered carboranes
• Authors of publication: Wang, Zhaojin; Wang, Tianyu; Zhang, Chi; Humphrey, Mark G.
• Journal of publication: Phys. Chem. Chem. Phys.
• Year of publication: 2017
• a: 10.2378 ± 0.0004 Å
• b: 10.7582 ± 0.0005 Å
• c: 11.6502 ± 0.0006 Å
• α: 90.007 ± 0.002°
• β: 102.099 ± 0.002°
• γ: 110.257 ± 0.002°
• Cell volume: 1173.35 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 120 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: 0.0931
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No