Information card for entry 7127238

Structure parameters

• Formula: C16 H20 B10
• Calculated formula: C16 H20 B10
• SMILES: [C]1234([C]567(C#Cc8ccccc8)[BH]891[BH]1%105[BH]5%116[BH]627[BH]273[BH]356[BH]51%11[BH]18%10[BH]492[BH]7351)c1ccccc1
• Title of publication: A new type of carborane-based electron-accepting material.
• Authors of publication: Lee, Sunhee; Shin, Jisu; Ko, Doo-Hyun; Han, Won-Sik
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 84
• Pages of publication: 12741 - 12744
• a: 7.2684 ± 0.0006 Å
• b: 10.407 ± 0.001 Å
• c: 12.7741 ± 0.0013 Å
• α: 74.227 ± 0.003°
• β: 81.33 ± 0.003°
• γ: 86.111 ± 0.003°
• Cell volume: 918.89 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.111
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No