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Information card for entry 4032934
Preview
Coordinates | 4032934.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H15 N O2 |
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Calculated formula | C17 H15 N O2 |
SMILES | O=C(OCC)c1c2ccccc2[nH]c1c1ccccc1 |
Title of publication | Synthesis of 2,3-Disubstituted NH Indoles via Rhodium(III)-Catalyzed C-H Activation of Arylnitrones and Coupling with Diazo Compounds. |
Authors of publication | Guo, Xin; Han, Jianwei; Liu, Yafeng; Qin, Mingda; Zhang, Xueguo; Chen, Baohua |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 21 |
Pages of publication | 11505 - 11511 |
a | 13.865 ± 0.004 Å |
b | 10.825 ± 0.002 Å |
c | 9.0227 ± 0.0014 Å |
α | 90° |
β | 90.53 ± 0.02° |
γ | 90° |
Cell volume | 1354.1 ± 0.5 Å3 |
Cell temperature | 287.51 ± 0.1 K |
Ambient diffraction temperature | 287.51 ± 0.1 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 | 0.0502 |
Residual factor for significantly intense reflections | 0.0409 |
Weighted residual factors for significantly intense reflections | 0.1013 |
Weighted residual factors for all reflections included in the refinement | 0.1071 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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