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Information card for entry 4025943
Preview
| Coordinates | 4025943.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H20 Cl N O4 |
|---|---|
| Calculated formula | C15 H20 Cl N O4 |
| SMILES | ClCC[C@H]1C(=O)N[C@@]2([C@@]1(C)OC2=O)[C@@H]([C@H]1C=CCCC1)O |
| Title of publication | Bioinspired Total Synthesis and Human Proteasome Inhibitory Activity of (-)-Salinosporamide A, (-)-Homosalinosporamide A, and Derivatives Obtained via Organonucleophile Promoted Bis-cyclizations |
| Authors of publication | Henry Nguyen; Gil Ma; Tatiana Gladysheva; Trisha Fremgen; Daniel Romo |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2011 |
| Journal volume | 76 |
| Pages of publication | 2 - 12 |
| a | 10.6099 ± 0.0007 Å |
| b | 10.7142 ± 0.0007 Å |
| c | 13.7817 ± 0.0008 Å |
| α | 90° |
| β | 105.557 ± 0.004° |
| γ | 90° |
| Cell volume | 1509.26 ± 0.17 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 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 | 0.0844 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.112 |
| Weighted residual factors for all reflections included in the refinement | 0.1229 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301812 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
4025943.cif |
| 178438 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/59. |
4025943.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4025943.cif |
| 37352 | 2012-03-02 | ../uploads/cif-deposit/cod/cif Adding structures of 4025943 via cif-deposit CGI script. |
4025943.cif |
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Users of the data should acknowledge the original authors of the
structural data.