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Information card for entry 4038329
Preview
| Coordinates | 4038329.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H15 N O3 |
|---|---|
| Calculated formula | C12 H15 N O3 |
| Title of publication | Deactivation of Secondary Amine Catalysts via Aldol Reaction-Amine Catalysis under Solvent-Free Conditions. |
| Authors of publication | Schnitzer, Tobias; Wennemers, Helma |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 5.4777 ± 0.0001 Å |
| b | 8.3194 ± 0.0002 Å |
| c | 25.6879 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1170.63 ± 0.04 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0352 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0834 |
| Weighted residual factors for all reflections included in the refinement | 0.0844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251819 (current) | 2020-05-06 | cif/ Adding structures of 4038329 via cif-deposit CGI script. |
4038329.cif |
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Users of the data should acknowledge the original authors of the
structural data.