Information card for entry 4001456

Structure parameters

• Formula: C10 H19 B10 I
• Calculated formula: C10 H19 B10 I
• SMILES: Ic1ccc(C[C]2345[C]678(C)[BH]9%102[BH]2%116[BH]6%127[BH]738[BH]38%12[BH]%12%116[BH]692[BH]25%10[BH]473[BH]8%1262)cc1
• Title of publication: Syntheses and Electropolymerization of Carboranyl-Functionalized Pyrroles and Thiophenes
• Authors of publication: Hao, Erhong; Fabre, Bruno; Fronczek, Frank R.; Vicente, M. Graça H.
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 25
• Pages of publication: 6195
• a: 17.049 ± 0.003 Å
• b: 7.9948 ± 0.0011 Å
• c: 12.027 ± 0.002 Å
• α: 90°
• β: 103.844 ± 0.007°
• γ: 90°
• Cell volume: 1591.7 ± 0.4 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 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: 0.028
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No