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Information card for entry 7129448
Preview
| Coordinates | 7129448.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H15 N O |
|---|---|
| Calculated formula | C14 H15 N O |
| SMILES | c1ccccc1CN1Cc2c(C1)coc2C |
| Title of publication | Silver oxide(I) promoted Conia-ene/radical cyclization for a straightforward access to furan derivatives |
| Authors of publication | Yu, Bao; selkti, mohamed; Ardisson, Janick; Lannou, Marie-Isabelle; Sorin, Geoffroy |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 6.4404 ± 0.0004 Å |
| b | 9.087 ± 0.0006 Å |
| c | 9.8469 ± 0.0007 Å |
| α | 96.339 ± 0.004° |
| β | 93.28 ± 0.004° |
| γ | 102.199 ± 0.004° |
| Cell volume | 557.9 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0421 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0954 |
| Weighted residual factors for all reflections included in the refinement | 0.0977 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271563 (current) | 2021-12-22 | cif/ Adding structures of 7129448, 7129449 via cif-deposit CGI script. |
7129448.cif |
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