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Information card for entry 1504492
Preview
| Coordinates | 1504492.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H24 O5 |
|---|---|
| Calculated formula | C19 H24 O5 |
| SMILES | [C@H]1([C@]2([C@@H]([C@@H](c3ccccc13)OC(=O)C(C)C)O2)C)OC(=O)C(C)C.[C@@H]1([C@@]2([C@H]([C@H](c3ccccc13)OC(=O)C(C)C)O2)C)OC(=O)C(C)C |
| Title of publication | A biogenetically-inspired synthesis of a ring-D model of kinamycin F: insights into the conformation of ring D. |
| Authors of publication | Chen, Nan; Carrière, Marjolaine B; Laufer, Radoslaw S.; Taylor, Nicholas J.; Dmitrienko, Gary I. |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 3 |
| Pages of publication | 381 - 384 |
| a | 9.2389 ± 0.0008 Å |
| b | 10.048 ± 0.0009 Å |
| c | 10.7755 ± 0.0009 Å |
| α | 110.302 ± 0.002° |
| β | 97.268 ± 0.002° |
| γ | 106.443 ± 0.002° |
| Cell volume | 871.27 ± 0.13 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.0986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1504492.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. |
1504492.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504492.cif |
| 42110 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504492 via cif-deposit CGI script. |
1504492.cif |
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Users of the data should acknowledge the original authors of the
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