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Information card for entry 1507129
Preview
| Coordinates | 1507129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C38 H32 Br3 N O7 |
|---|---|
| Calculated formula | C38 H32 Br3 N O7 |
| SMILES | Brc1ccc(cc1)C(=O)O[C@H]1[C@H]2N([C@@H](CC(=O)c3ccc(cc3)C)CC1)C[C@@H](OC(=O)c1ccc(Br)cc1)[C@H]2OC(=O)c1ccc(Br)cc1 |
| Title of publication | Synthesis of the new mannosidase inhibitors, diversity-oriented 5-substituted swainsonine analogues, via stereoselective Mannich reaction. |
| Authors of publication | Fujita, Tomoya; Nagasawa, Hideko; Uto, Yoshihiro; Hashimoto, Toshihiro; Asakawa, Yoshinori; Hori, Hitoshi |
| Journal of publication | Organic letters |
| Year of publication | 2004 |
| Journal volume | 6 |
| Journal issue | 5 |
| Pages of publication | 827 - 830 |
| a | 14.771 ± 0.0008 Å |
| b | 6.763 ± 0.0004 Å |
| c | 18.517 ± 0.002 Å |
| α | 90° |
| β | 97.923 ± 0.002° |
| γ | 90° |
| Cell volume | 1832.1 ± 0.2 Å3 |
| Cell temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0896 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1577 |
| Weighted residual factors for all reflections included in the refinement | 0.1826 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 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. |
1507129.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1507129.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507129.cif |
| 51700 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1507129 via cif-deposit CGI script. |
1507129.cif |
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Users of the data should acknowledge the original authors of the
structural data.