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Information card for entry 4515128
Preview
| Coordinates | 4515128.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H11 N O3 |
|---|---|
| Calculated formula | C11 H11 N O3 |
| SMILES | O1C(c2ccc(N(=O)=O)cc2)CC=CC1 |
| Title of publication | Vinylsilanes in Highly Diastereo- and Regio-Selective Synthesis of Dihydropyrans. |
| Authors of publication | Borthakur, Upasana; Biswas, Subhamoy; Saikia, Anil K. |
| Journal of publication | ACS omega |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 2 |
| Pages of publication | 2630 - 2636 |
| a | 6.8236 ± 0.0006 Å |
| b | 18.8561 ± 0.0017 Å |
| c | 7.845 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1009.39 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0687 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1482 |
| Weighted residual factors for all reflections included in the refinement | 0.165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220242 (current) | 2019-10-28 | cif/ Adding structures of 4515128 via cif-deposit CGI script. |
4515128.cif |
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Users of the data should acknowledge the original authors of the
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