Information card for entry 7706209

Structure parameters

• Formula: C14 H18 B10
• Calculated formula: C14 H18 B10
• SMILES: [BH]1234[BH]5678[BH]9%10%11[BH]%12%13%14[BH]%15%16%17[BH]%181([BH]125[BH]2%15%18[BH]9%12%16[BH]6%1012)[CH]4%14%17[C]37%11%13c1ccccc1c1ccccc81
• Title of publication: Experimental proof for emission annihilation through bond elongation at the carbon-carbon bond in o-carborane with fused biphenyl-substituted compounds.
• Authors of publication: Ochi, Junki; Tanaka, Kazuo; Chujo, Yoshiki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 1025 - 1033
• a: 11.1424 ± 0.0004 Å
• b: 13.9931 ± 0.0004 Å
• c: 20.6658 ± 0.0006 Å
• α: 90°
• β: 92.798 ± 0.007°
• γ: 90°
• Cell volume: 3218.3 ± 0.18 ų
• Cell temperature: 83 ± 2 K
• Ambient diffraction temperature: 83 ± 2 K
• Number of distinct elements: 3
• 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: 0.0766
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No