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Information card for entry 1503463
Preview
| Coordinates | 1503463.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C41 H53 N O8 |
|---|---|
| Calculated formula | C41 H53 N O8 |
| SMILES | C1=CC(=O)[C@H]([C@@H]2CC[C@@H]3[C@]4([C@@]12C4)CC[C@]1([C@]3(C[C@@H]([C@@H]1[C@H](C)[C@H](C(=O)C(=C)[C@H](COC(=O)Nc1ccccc1)C)OC(=O)C)OC(=O)C)C)C)C |
| Title of publication | Proteasome Inhibitors from Neoboutonia melleri. |
| Authors of publication | Long, Christophe; Beck, Joséphine; Cantagrel, Frédéric; Marcourt, Laurence; Vendier, Laure; David, Bruno; Plisson, Fabien; Derguini, Fadila; Vandenberghe, Isabelle; Aussagues, Yannick; Ausseil, Frédéric; Lavaud, Catherine; Sautel, François; Massiot, Georges |
| Journal of publication | Journal of natural products |
| Year of publication | 2012 |
| Journal volume | 75 |
| Journal issue | 1 |
| Pages of publication | 34 - 47 |
| a | 11.5565 ± 0.0007 Å |
| b | 14.6892 ± 0.001 Å |
| c | 22.021 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3738.2 ± 0.4 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0558 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0972 |
| Weighted residual factors for all reflections included in the refinement | 0.1086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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. |
1503463.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. |
1503463.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503463.cif |
| 37845 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 1503463 via cif-deposit CGI script. |
1503463.cif |
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Users of the data should acknowledge the original authors of the
structural data.