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Information card for entry 1503864
Preview
| Coordinates | 1503864.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H36 N2 O5 |
|---|---|
| Calculated formula | C29 H36 N2 O5 |
| SMILES | O=C1[C@@H](C)[C@@H](OC(=O)[C@@H](N(C(=O)[C@H](NC(=O)[C@@H]1C)Cc1ccccc1)C)Cc1ccccc1)CCC |
| Title of publication | A convergent synthesis of the proposed structure of antitumor depsipeptide stereocalpin A. |
| Authors of publication | Ghosh, Arun K.; Xu, Chun-Xiao |
| Journal of publication | Organic letters |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 9 |
| Pages of publication | 1963 - 1966 |
| a | 13.216 ± 0.0012 Å |
| b | 6.0877 ± 0.0003 Å |
| c | 16.8483 ± 0.0016 Å |
| α | 90° |
| β | 103.51 ± 0.003° |
| γ | 90° |
| Cell volume | 1318.02 ± 0.19 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.06 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.076 |
| Weighted residual factors for all reflections included in the refinement | 0.083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MO-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288193 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9828. This change affected only the misspelt variants of the '_exptl_absorpt_process_details' data name. |
1503864.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. |
1503864.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503864.cif |
| 39152 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503864 via cif-deposit CGI script. |
1503864.cif |
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Users of the data should acknowledge the original authors of the
structural data.