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Information card for entry 7058134
Preview
| Coordinates | 7058134.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H14 O4 |
|---|---|
| Calculated formula | C13 H14 O4 |
| Title of publication | The first enantioselective strategy towards speciosins |
| Authors of publication | Peixoto de Abreu Lima, Alejandro; Suescun, Leopoldo; Pandolfi, Enrique; Schapiro, Valeria |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| Journal volume | 43 |
| Journal issue | 9 |
| Pages of publication | 3653 |
| a | 8.9464 ± 0.0003 Å |
| b | 6.8743 ± 0.0002 Å |
| c | 9.9114 ± 0.0003 Å |
| α | 90° |
| β | 90.1 ± 0.002° |
| γ | 90° |
| Cell volume | 609.55 ± 0.03 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0605 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1093 |
| Weighted residual factors for all reflections included in the refinement | 0.1167 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7058134.cif |
| 224894 | 2019-11-08 | cif/ Updating files of 7058134 Original log message: Adding full bibliography for 7058134.cif. |
7058134.cif |
| 213438 | 2019-02-02 | cif/ Adding structures of 7058134 via cif-deposit CGI script. |
7058134.cif |
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Users of the data should acknowledge the original authors of the
structural data.