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Information card for entry 1542926
Preview
Coordinates | 1542926.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H36 B N3 |
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Calculated formula | C34 H36 B N3 |
SMILES | [B]1([n]2nc(n(c2c2c(C1)cccc2)C)c1ccccc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
Title of publication | 1,1-Hydroboration of Fused Azole-Isoindole Analogues as an Approach for Construction of B,N-Heterocycles and Azole-Fused B,N-Naphthalenes. |
Authors of publication | Shi, Yong-Gang; Yang, Deng-Tao; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 7 |
Pages of publication | 1626 - 1629 |
a | 21.303 ± 0.003 Å |
b | 13.582 ± 0.002 Å |
c | 9.6038 ± 0.0012 Å |
α | 90° |
β | 95.171 ± 0.005° |
γ | 90° |
Cell volume | 2767.4 ± 0.7 Å3 |
Cell temperature | 152 ± 2 K |
Ambient diffraction temperature | 152 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0882 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for significantly intense reflections | 0.0965 |
Weighted residual factors for all reflections included in the refinement | 0.1101 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/1542926.html
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