Information card for entry 4001457

Structure parameters

• Formula: C14 H22 B10 S
• Calculated formula: C14 H22 B10 S
• SMILES: C[C]1234[C]567([BH]891[BH]1%104[BH]4%113[BH]325[BH]256[BH]678[BH]791[BH]1%10%11[BH]432[BH]5671)Cc1ccc(cc1)c1ccsc1
• 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: 18.803 ± 0.003 Å
• b: 7.8137 ± 0.0012 Å
• c: 12.159 ± 0.002 Å
• α: 90°
• β: 101.279 ± 0.007°
• γ: 90°
• Cell volume: 1751.9 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.064
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No