Information card for entry 7712391

Structure parameters

• Formula: C11 H19 B10 N O2
• Calculated formula: C11 H19 B10 N O2
• SMILES: O=C(OC)N1c2ccc(cc2[BH]2345[CH]678[CH]9%102[BH]2%1113[BH]139[BH]97%10[BH]7%106[BH]6%12%13[BH]42([BH]%1116[BH]397%12)[BH]58%10%13)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: 21.48 ± 0.002 Å
• b: 12.8355 ± 0.0012 Å
• c: 12.6104 ± 0.0013 Å
• α: 90°
• β: 105.394 ± 0.003°
• γ: 90°
• Cell volume: 3352 ± 0.6 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: 0.213
• Residual factor for significantly intense reflections: 0.1045
• Weighted residual factors for significantly intense reflections: 0.1858
• Weighted residual factors for all reflections included in the refinement: 0.2232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No