Information card for entry 1550621

Structure parameters

• Formula: C11 H20 B10 S2
• Calculated formula: C11 H20 B10 S2
• SMILES: S(C(c1ccccc1)C)C(=S)[C]1234[CH]567[BH]892[BH]2%101[BH]1%11%12[BH]%1392[BH]258[BH]586[BH]637[BH]4%101[BH]%1286[BH]%11%1325
• Title of publication: Carborane RAFT agents as tunable and functional molecular probes for polymer materials
• Authors of publication: Messina, Marco S.; Graefe, Christian T.; Chong, Paul; Ebrahim, Omar M.; Pathuri, Ramya S.; Bernier, Nicholas A.; Mills, Harrison A.; Rheingold, Arnold L.; Frontiera, Renee R.; Maynard, Heather D.; Spokoyny, Alexander M.
• Journal of publication: Polymer Chemistry
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 13
• Pages of publication: 1660
• a: 12.427 ± 0.002 Å
• b: 12.068 ± 0.003 Å
• c: 11.6342 ± 0.0017 Å
• α: 90°
• β: 92.622 ± 0.009°
• γ: 90°
• Cell volume: 1742.9 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1578
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.211
• Weighted residual factors for all reflections included in the refinement: 0.2405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No