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Information card for entry 1542705
Preview
Coordinates | 1542705.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H19 N O3 |
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Calculated formula | C19 H19 N O3 |
SMILES | O(c1cc(c2n(c3c(c2C(=O)OCC)cccc3)C)ccc1)C |
Title of publication | C-H Activation-Based Traceless Synthesis via Electrophilic Removal of a Directing Group. Rhodium(III)-Catalyzed Entry into Indoles from N-Nitroso and α-Diazo-β-keto Compounds. |
Authors of publication | Wang, Jie; Wang, Mingyang; Chen, Kehao; Zha, Shanke; Song, Chao; Zhu, Jin |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 5 |
Pages of publication | 1178 |
a | 9.2196 ± 0.0018 Å |
b | 6.1859 ± 0.0012 Å |
c | 14.23 ± 0.003 Å |
α | 90° |
β | 94.59 ± 0.03° |
γ | 90° |
Cell volume | 809 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0305 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for significantly intense reflections | 0.0837 |
Weighted residual factors for all reflections included in the refinement | 0.0838 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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