Information card for entry 1564521

Structure parameters

• Formula: C14 H19 B10 F S
• Calculated formula: C14 H19 B10 F S
• Title of publication: Electrooxidative o-Carborane Chalcogenations Without Directing Groups: Cage Activation by Copper Catalysis at Room Temperature
• Authors of publication: Yang, Long; Jei, Becky Bongsuiru; Scheremetjew, Alexej; Yuan, Binbin; Stückl, A Claudia; Ackermann, Lutz
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 6.5577 ± 0.0011 Å
• b: 27.779 ± 0.005 Å
• c: 10.1198 ± 0.001 Å
• α: 90°
• β: 100.877 ± 0.005°
• γ: 90°
• Cell volume: 1810.4 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0328
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No