Information card for entry 7129365

Structure parameters

• Formula: C37 H36 B10 F4 O4
• Calculated formula: C37 H35 B10 F4 O4
• Title of publication: Rhodium-catalyzed sequential B(3)−, B(4)−, and B(5)-trifunctionalization of o-carboranes with three different substituents
• Authors of publication: Cheng, Biao; Chen, Yu; Zhou, Peng; Xie, Zuowei
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 10.465 ± 0.0012 Å
• b: 13.5333 ± 0.0016 Å
• c: 14.4641 ± 0.0017 Å
• α: 96.643 ± 0.004°
• β: 111.103 ± 0.004°
• γ: 93.586 ± 0.004°
• Cell volume: 1886.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1857
• Weighted residual factors for all reflections included in the refinement: 0.2034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No