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Information card for entry 7125903
Preview
| Coordinates | 7125903.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | EIT752 |
|---|---|
| Formula | C36 H44 Br N O5 |
| Calculated formula | C36 H44 Br N O5 |
| Title of publication | Quaternary β<sup>2,2</sup>-amino acid derivatives by asymmetric addition of isoxazolidin-5-ones to para-quinone methides. |
| Authors of publication | Eitzinger, Andreas; Winter, Michael; Schörgenhumer, Johannes; Waser, Mario |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 4 |
| Pages of publication | 579 - 582 |
| a | 10.1681 ± 0.0004 Å |
| b | 11.5222 ± 0.0004 Å |
| c | 15.4679 ± 0.0006 Å |
| α | 105.32 ± 0.001° |
| β | 90.967 ± 0.002° |
| γ | 100.049 ± 0.002° |
| Cell volume | 1717.2 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.145 |
| Residual factor for significantly intense reflections | 0.0652 |
| Weighted residual factors for significantly intense reflections | 0.1008 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7125903.cif |
| 247545 | 2020-02-04 | cif/ Adding structures of 7125903, 7125904 via cif-deposit CGI script. |
7125903.cif |
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Users of the data should acknowledge the original authors of the
structural data.