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Information card for entry 4038051
Preview
| Coordinates | 4038051.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H23 N Na2 O8 |
|---|---|
| Calculated formula | C20 H23 N Na2 O8 |
| Title of publication | Synthesis of Diaryl Hydroxyl Dicarboxylic Acids from Amino Acids. |
| Authors of publication | Eronen, Aleksi E. K.; Mannisto, Jere K.; Moslova, Karina; Nieger, Martin; Heliövaara, Eeva; Repo, Timo |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 6.2535 ± 0.0002 Å |
| b | 38.0761 ± 0.0013 Å |
| c | 9.2033 ± 0.0003 Å |
| α | 90° |
| β | 109.594 ± 0.001° |
| γ | 90° |
| Cell volume | 2064.49 ± 0.12 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0325 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0799 |
| Weighted residual factors for all reflections included in the refinement | 0.0806 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249241 (current) | 2020-03-11 | cif/ Adding structures of 4038050, 4038051 via cif-deposit CGI script. |
4038051.cif |
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Users of the data should acknowledge the original authors of the
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