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Information card for entry 1545435
Preview
| Coordinates | 1545435.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H17 N O3 |
|---|---|
| Calculated formula | C13 H17 N O3 |
| SMILES | O=C1Nc2c(C1(OOC(C)(C)C)C)cccc2 |
| Title of publication | Oxidative Fragmentations and Skeletal Rearrangements of Oxindole Derivatives. |
| Authors of publication | Klare, Hendrik F. T.; Goldberg, Alexander F. G.; Duquette, Douglas C.; Stoltz, Brian M. |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 5 |
| Pages of publication | 988 - 991 |
| a | 16.7256 ± 0.001 Å |
| b | 12.4161 ± 0.0007 Å |
| c | 25.1262 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5217.9 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0737 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.081 |
| Weighted residual factors for all reflections included in the refinement | 0.089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193357 (current) | 2017-03-04 | cif/ Adding structures of 1545435 via cif-deposit CGI script. |
1545435.cif |
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Users of the data should acknowledge the original authors of the
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