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Information card for entry 1543823
Preview
Coordinates | 1543823.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H22 Cl N2 Rh |
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Calculated formula | C17 H22 Cl N2 Rh |
SMILES | [Rh]12345(Cl)(=NN(c6c5cccc6)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C |
Title of publication | A Versatile, Traceless C-H Activation-Based Approach for the Synthesis of Heterocycles. |
Authors of publication | Zhou, Shuguang; Wang, Jinhu; Zhang, Feifei; Song, Chao; Zhu, Jin |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 10 |
Pages of publication | 2427 - 2430 |
a | 8.3882 ± 0.0003 Å |
b | 14.1471 ± 0.0004 Å |
c | 14.5826 ± 0.0005 Å |
α | 84.405 ± 0.003° |
β | 81.153 ± 0.003° |
γ | 84.229 ± 0.003° |
Cell volume | 1695.31 ± 0.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0415 |
Residual factor for significantly intense reflections | 0.0302 |
Weighted residual factors for significantly intense reflections | 0.0734 |
Weighted residual factors for all reflections included in the refinement | 0.0803 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
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/1543823.html
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