Information card for entry 7706644

Structure parameters

• Formula: C18 H35 B9 O S
• Calculated formula: C18 H35 B9 O S
• Title of publication: Polar derivatives of [<i>closo</i>-1-CB₉H₁₀]^- and [<i>closo</i>-1-CB₁₁H₁₂]^- anions as high Δ<i>ε</i> additives to a nematic host: a comparison of the CH₂CH₂ and COO linking groups.
• Authors of publication: Jakubowski, Rafał; Pecyna, Jacek; Ali, Muhammad O.; Pietrzak, Anna; Friedli, Andrienne C.; Kaszyński, Piotr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 10
• Pages of publication: 3671 - 3681
• a: 12.0696 ± 0.0001 Å
• b: 10.9358 ± 0.0001 Å
• c: 18.2678 ± 0.0002 Å
• α: 90°
• β: 108.24 ± 0.001°
• γ: 90°
• Cell volume: 2290.03 ± 0.04 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No