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Information card for entry 1507381
Preview
| Coordinates | 1507381.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C26 H24 Br2 O8 |
|---|---|
| Calculated formula | C26 H24 Br2 O8 |
| SMILES | Brc1ccc(C(=O)O[C@@H]2[C@@H]3OC(=O)[C@H]([C@H](C2)C(=O)OCC)[C@H]3CCOC(=O)c2ccc(Br)cc2)cc1 |
| Title of publication | Useful enantioselective bicyclization reactions using an N-protonated chiral oxazaborolidine as catalyst. |
| Authors of publication | Zhou, Gang; Hu, Qi-Ying; Corey, E. J. |
| Journal of publication | Organic letters |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 21 |
| Pages of publication | 3979 - 3982 |
| a | 8.1024 ± 0.001 Å |
| b | 10.0673 ± 0.0012 Å |
| c | 16.2 ± 0.002 Å |
| α | 90° |
| β | 90.776 ± 0.002° |
| γ | 90° |
| Cell volume | 1321.3 ± 0.3 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0392 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0929 |
| Weighted residual factors for all reflections included in the refinement | 0.0948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| 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. |
1507381.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. |
1507381.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. |
1507381.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507381.cif |
| 53875 | 2012-04-20 | cif/ Adding structures of 1507381 via cif-deposit CGI script. |
1507381.cif |
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Users of the data should acknowledge the original authors of the
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