Information card for entry 7712390

Structure parameters

• Formula: C10 H17 B10 N O2
• Calculated formula: C10 H17 B10 N O2
• SMILES: O=C(OC)N1c2c(cccc2)[B]2345[CH]678[CH]9%102[BH]2%118[BH]8%126[BH]6%13%14[B]1378[BH]14%14[BH]346[BH]2%12%13[BH]9%113[BH]5%1014
• 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: 10.7495 ± 0.0004 Å
• b: 11.4159 ± 0.0005 Å
• c: 12.8872 ± 0.0005 Å
• α: 90°
• β: 107.245 ± 0.001°
• γ: 90°
• Cell volume: 1510.36 ± 0.11 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: 0.0908
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No