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Information card for entry 1506137
Preview
| Coordinates | 1506137.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C25 H23 N3 O5 |
|---|---|
| Calculated formula | C25 H23 N3 O5 |
| SMILES | O=C(Nc1cccc2c1nccc2)[C@@H](N1C(=O)c2ccccc2C1=O)[C@@H](OC(=O)C)C(C)C |
| Title of publication | Novel acetoxylation and C-C coupling reactions at unactivated positions in alpha-amino acid derivatives. |
| Authors of publication | Reddy, B. V. Subba; Reddy, Leleti Rajender; Corey, E. J. |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 15 |
| Pages of publication | 3391 - 3394 |
| a | 30.159 ± 0.005 Å |
| b | 8.8874 ± 0.0014 Å |
| c | 20.568 ± 0.003 Å |
| α | 90° |
| β | 124.276 ± 0.003° |
| γ | 90° |
| Cell volume | 4555.5 ± 1.2 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.109 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.0578 |
| Weighted residual factors for all reflections included in the refinement | 0.0697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.824 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1506137.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506137.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506137.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506137.cif |
| 48028 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506137 via cif-deposit CGI script. |
1506137.cif |
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Users of the data should acknowledge the original authors of the
structural data.