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Information card for entry 4032824
Preview
Coordinates | 4032824.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H14 N2 O |
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Calculated formula | C15 H14 N2 O |
SMILES | OC1(c2c(NC\1=N/c1ccccc1)cccc2)C |
Title of publication | Synthesis of 2-Amino-3-hydroxy-3H-indoles via Palladium-Catalyzed One-Pot Reaction of Isonitriles, Oxygen, and N-Tosylhydrazones Derived from 2-Acylanilines. |
Authors of publication | Chu, Haoke; Dai, Qiang; Jiang, Yan; Cheng, Jiang |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 15 |
Pages of publication | 8267 - 8272 |
a | 10.415 ± 0.002 Å |
b | 12.716 ± 0.003 Å |
c | 10.387 ± 0.002 Å |
α | 90° |
β | 110.369 ± 0.005° |
γ | 90° |
Cell volume | 1289.6 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 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 | 0.089 |
Residual factor for significantly intense reflections | 0.058 |
Weighted residual factors for significantly intense reflections | 0.1484 |
Weighted residual factors for all reflections included in the refinement | 0.1724 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4032824.html
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