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Information card for entry 7154039
Preview
Coordinates | 7154039.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3-hydroxy-1-methylindolin-2-one |
---|---|
Formula | C9 H9 N O2 |
Calculated formula | C9 H9 N O2 |
SMILES | N1(c2ccccc2C(O)C1=O)C |
Title of publication | An intermolecular C-H functionalization method for the synthesis of 3-hydroxy-2-oxindoles. |
Authors of publication | Chen, Jinsen; Song, Chao; Chen, Pei; Zhu, Jin |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 42 |
Pages of publication | 8390 - 8393 |
a | 7.804 ± 0.0016 Å |
b | 13.07 ± 0.003 Å |
c | 8.448 ± 0.0017 Å |
α | 90° |
β | 108.64 ± 0.03° |
γ | 90° |
Cell volume | 816.5 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0825 |
Residual factor for significantly intense reflections | 0.057 |
Weighted residual factors for significantly intense reflections | 0.1547 |
Weighted residual factors for all reflections included in the refinement | 0.1705 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/7154039.html
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