Information card for entry 7128672

Structure parameters

• Formula: C42 H40 B10
• Calculated formula: C42 H40 B10
• Title of publication: Pd-catalyzed selective tetrafunctionalization of diiodo-<i>o</i>-carboranes.
• Authors of publication: Ge, Yixiu; Qiu, Zaozao; Xie, Zuowei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 65
• Pages of publication: 8071 - 8074
• a: 17.3533 ± 0.0019 Å
• b: 10.5696 ± 0.0012 Å
• c: 19.807 ± 0.003 Å
• α: 90°
• β: 97.064 ± 0.009°
• γ: 90°
• Cell volume: 3605.4 ± 0.8 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.98 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1518
• Residual factor for significantly intense reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.2362
• Weighted residual factors for all reflections included in the refinement: 0.2748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No