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Information card for entry 7712390
Preview
Coordinates | 7712390.cif |
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Original paper (by DOI) | HTML |
Formula | C10 H17 B10 N O2 |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/7712390.html
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