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Information card for entry 7226816
Preview
| Coordinates | 7226816.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H14 F N O3 |
|---|---|
| Calculated formula | C13 H14 F N O3 |
| SMILES | c1(ccc2c(c1)C1(C(=O)N2C)COC(C)(C)O1)F |
| Title of publication | Scandium triflate-catalyzed selective ring opening and rearrangement reaction of spiro-epoxyoxindole and carbonyl compound |
| Authors of publication | Li, Jian; Jiang, Hui; Jie, Haohua |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 9.209 ± 0.007 Å |
| b | 8.898 ± 0.007 Å |
| c | 15.07 ± 0.012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1234.9 ± 1.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0324 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0688 |
| Weighted residual factors for all reflections included in the refinement | 0.0715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187389 (current) | 2016-10-18 | cif/ Adding structures of 7226816 via cif-deposit CGI script. |
7226816.cif |
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Users of the data should acknowledge the original authors of the
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