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Information card for entry 7063185
Preview
| Coordinates | 7063185.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H13 N O |
|---|---|
| Calculated formula | C16 H13 N O |
| SMILES | c1(c(c2ccccc2[nH]1)C(=O)C)c1ccccc1 |
| Title of publication | α-Hydroxydimethylacetal/ketal as an α-hydroxycarbonyl equivalent in interrupted Heyns/Amadori rearrangement: regioselective synthesis of substituted C2- and C3-acylindoles |
| Authors of publication | Altia, Minakshi; Anbarasan, Pazhamalai |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2024 |
| Journal volume | 48 |
| Journal issue | 22 |
| Pages of publication | 9981 - 9989 |
| a | 7.4062 ± 0.0004 Å |
| b | 7.8098 ± 0.0005 Å |
| c | 10.9025 ± 0.0006 Å |
| α | 101.137 ± 0.002° |
| β | 93.235 ± 0.002° |
| γ | 96.394 ± 0.002° |
| Cell volume | 612.92 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0832 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for significantly intense reflections | 0.1773 |
| Weighted residual factors for all reflections included in the refinement | 0.2091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293188 (current) | 2024-07-05 | cif/ Updating files of 7063185, 7063186, 7063187 Original log message: Adding full bibliography for 7063185--7063187.cif. |
7063185.cif |
| 291451 | 2024-05-02 | cif/ Adding structures of 7063185, 7063186, 7063187 via cif-deposit CGI script. |
7063185.cif |
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Users of the data should acknowledge the original authors of the
structural data.