Information card for entry 1546133

Structure parameters

• Formula: C18 H22 B10 N2
• Calculated formula: C18 H22 B10 N2
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%172([BH]215[BH]169[BH]8%11%14[BH]%15%1721)[C]4%13%16([C]37%10%12c1cc(c2ccccn2)ncc1)c1ccccc1
• Title of publication: Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity
• Authors of publication: Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 12.0727 ± 0.0015 Å
• b: 12.564 ± 0.0016 Å
• c: 26.304 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3989.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No