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Information card for entry 4516880
Preview
| Coordinates | 4516880.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H26 N2 O3 |
|---|---|
| Calculated formula | C17 H26 N2 O3 |
| Title of publication | Brønsted Acid-Catalyzed Epimerization-Free Preparation of Dual-Protected Amino Acid Derivatives. |
| Authors of publication | de Castro, Pedro P.; Rimulo, Isabela M. R.; de Almeida, Angelina M.; Diniz, Renata; Amarante, Giovanni W. |
| Journal of publication | ACS omega |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 6 |
| Pages of publication | 2967 - 2976 |
| a | 5.0999 ± 0.0001 Å |
| b | 15.0074 ± 0.0006 Å |
| c | 23.3654 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1788.3 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.0852 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1638 |
| Weighted residual factors for all reflections included in the refinement | 0.1802 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239608 (current) | 2019-11-24 | cif/ Adding structures of 4516880 via cif-deposit CGI script. |
4516880.cif |
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Users of the data should acknowledge the original authors of the
structural data.