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Information card for entry 1506920
Preview
| Coordinates | 1506920.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C8 H10 O8 |
|---|---|
| Calculated formula | C8 H10 O8 |
| SMILES | O[C@]1([C@](O)(C(=O)OC)C(=O)OC1)C(=O)OC |
| Title of publication | Asymmetric synthesis of the AB ring system of lactonamycin. |
| Authors of publication | Kelly, T. Ross; Cai, Xiaolu; Tu, Bin; Elliott, Eric L.; Grossmann, Gilles; Laurent, Pierre |
| Journal of publication | Organic letters |
| Year of publication | 2004 |
| Journal volume | 6 |
| Journal issue | 26 |
| Pages of publication | 4953 - 4956 |
| a | 8.3616 ± 0.0006 Å |
| b | 10.4148 ± 0.0007 Å |
| c | 11.2854 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 982.78 ± 0.11 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0348 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0935 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| 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. |
1506920.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. |
1506920.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506920.cif |
| 51547 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1506918, 1506919, 1506920, 1506921 via cif-deposit CGI script. |
1506920.cif |
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Users of the data should acknowledge the original authors of the
structural data.