Information card for entry 1574487

Structure parameters

• Formula: C17 H24 B10 O
• Calculated formula: C17 H24 B10 O
• SMILES: O=C(C[B]1234[CH]567[C]89%10(c%11ccccc%11)[BH]%11%125[BH]516[BH]16%12[BH]%129%11[BH]9%11%10[BH]278[BH]249[BH]351[BH]6%12%112)c1ccc(cc1)C
• Title of publication: Post-coordination of Ru(ii) controlled regioselective B(4)–H acylmethylation of o-carboranes with sulfoxonium ylides
• Authors of publication: Cao, Hou-Ji; Li, Jia-Xin; Yan, Jia-Hui; Liu, Miao-Xin; Zhao, Qianyi; Zhang, Jie; Zhang, Ju; Yan, Hong
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 21
• Pages of publication: 9406 - 9412
• a: 10.2082 ± 0.0011 Å
• b: 10.3206 ± 0.0009 Å
• c: 10.8736 ± 0.0009 Å
• α: 95.963 ± 0.007°
• β: 114.424 ± 0.01°
• γ: 96.569 ± 0.008°
• Cell volume: 1021.64 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.2045
• Weighted residual factors for all reflections included in the refinement: 0.2243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No