Information card for entry 7228167

Structure parameters

• Formula: C32 H36 B10
• Calculated formula: C32 H36 B10
• SMILES: c1ccc2c(c1)C(c1c2ccc(c1)[C]1234[C]567(c8cc9c(cc8)c8c(cccc8)C9(C)C)[BH]89%10[BH]%11%125[BH]5%13%14[BH]%15%10%11[BH]%10%119[BH]168[BH]12%10[BH]5%15%11[BH]3%131[BH]47%12%14)(C)C
• 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: 10.7377 ± 0.0004 Å
• b: 15.4048 ± 0.0006 Å
• c: 18.3711 ± 0.0007 Å
• α: 90.481 ± 0.002°
• β: 97.83 ± 0.002°
• γ: 91.483 ± 0.002°
• Cell volume: 3009.2 ± 0.2 ų
• Cell temperature: 120 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: 0.0739
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No