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Information card for entry 1545447
Preview
Coordinates | 1545447.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H24 B10 N2 |
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Calculated formula | C12 H24 B10 N2 |
SMILES | [CH]1234[C]567(/N=N/c8ccc(cc8)C(C)(C)C)[BH]89%10[BH]%11%12%13[BH]%14%159[BH]158[BH]12%15[BH]2%11%14[BH]531[BH]146[BH]%1225[BH]7%10%131 |
Title of publication | Base-Promoted Decarboxylative Azo-Coupling: Construction of Unsymmetrical Azocarboranes. |
Authors of publication | Li, Huan-Huan; Bai, Fan; Yan, Hong; Lu, Chang-Sheng |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 4 |
Pages of publication | 862 - 865 |
a | 7.0584 ± 0.0008 Å |
b | 12.616 ± 0.0014 Å |
c | 21.271 ± 0.003 Å |
α | 90° |
β | 97.699 ± 0.002° |
γ | 90° |
Cell volume | 1877.1 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0745 |
Residual factor for significantly intense reflections | 0.0518 |
Weighted residual factors for significantly intense reflections | 0.1414 |
Weighted residual factors for all reflections included in the refinement | 0.1573 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/1545447.html
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Users of the data should acknowledge the original authors of the
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