Information card for entry 7712392

Structure parameters

• Formula: C10 H17 B10 N O2
• Calculated formula: C10 H17 B10 N O2
• SMILES: O(C(=O)N1c2c(cccc2)[B]2345[CH]678[CH]9%103[BH]3%115[B]5%1212[BH]12%13[BH]%1435[BH]351[BH]7%13([BH]46%122)[BH]8%105[BH]9%11%143)C
• Title of publication: Iridium-catalyzed selective amination of B(4)-H for the synthesis of <i>o</i>-carborane-fused indolines.
• Authors of publication: Zhang, Cai-Yan; Cao, Ke; Liu, Dechun; Yang, Han-Bo; Teng, Chao-Chao; Li, Bo; Yang, Junxiao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 7.0289 ± 0.0005 Å
• b: 19.6397 ± 0.0015 Å
• c: 11.4366 ± 0.0009 Å
• α: 90°
• β: 97.502 ± 0.003°
• γ: 90°
• Cell volume: 1565.3 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.117
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No