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Information card for entry 1506914
Preview
| Coordinates | 1506914.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | Depsilairdin |
|---|---|
| Formula | C38 H67 N3 O10 |
| Calculated formula | C38 H67 N3 O10 |
| SMILES | N1([C@H](C(=O)O[C@H]2CC[C@](O)([C@H]3C[C@H](CC[C@]23C)C(=C)C)C)[C@](O)([C@H](O)C1)C)C(=O)[C@@H](N(C)C(=O)[C@@H](N(C)C(=O)[C@H](O)C(C)C)C(C)C)C(C)C.O |
| Title of publication | Chemical mediators: the remarkable structure and host-selectivity of depsilairdin, a sesquiterpenic depsipeptide containing a new amino acid. |
| Authors of publication | Pedras, M Soledade C; Chumala, Paulos B.; Quail, J. Wilson |
| Journal of publication | Organic letters |
| Year of publication | 2004 |
| Journal volume | 6 |
| Journal issue | 24 |
| Pages of publication | 4615 - 4617 |
| a | 15.128 ± 0.0002 Å |
| b | 6.86 ± 0.0001 Å |
| c | 19.886 ± 0.0004 Å |
| α | 90° |
| β | 104.813 ± 0.0007° |
| γ | 90° |
| Cell volume | 1995.14 ± 0.06 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0611 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.0845 |
| Weighted residual factors for all reflections included in the refinement | 0.0918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| 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. |
1506914.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. |
1506914.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506914.cif |
| 51543 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1506914 via cif-deposit CGI script. |
1506914.cif |
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Users of the data should acknowledge the original authors of the
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