Information card for entry 7228166

Structure parameters

• Common name: pFl-Cb-H
• Formula: C27 H28 B10
• Calculated formula: C27 H28 B10
• SMILES: [C]1234([CH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]456[BH]678[BH]791[BH]1%102[BH]%1134[BH]5671)c1cc2c(cc1)c1c(cccc1)C2(c1ccccc1)c1ccccc1
• 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: 29.1255 ± 0.0009 Å
• b: 29.1255 ± 0.0009 Å
• c: 14.6448 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12423.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.3055
• Weighted residual factors for all reflections included in the refinement: 0.3329
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No