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Information card for entry 1513453
Preview
| Coordinates | 1513453.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H25 N O7 |
|---|---|
| Calculated formula | C26 H25 N O7 |
| SMILES | n1ccc2c3c(c(ccc13)OCOCC)C1=C(O2)C(=O)OC1CCOCOCc1ccccc1 |
| Title of publication | Total synthesis of (±)-distomadines a and B. |
| Authors of publication | Jolibois, Alexandre E. R.; Lewis, William; Moody, Christopher J. |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 4 |
| Pages of publication | 1064 - 1067 |
| a | 7.8031 ± 0.0004 Å |
| b | 9.1491 ± 0.0005 Å |
| c | 16.0757 ± 0.0007 Å |
| α | 77.259 ± 0.004° |
| β | 83.756 ± 0.004° |
| γ | 78.585 ± 0.005° |
| Cell volume | 1094.72 ± 0.1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0393 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections included in the refinement | 0.0964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Diffraction radiation X-ray symbol | K-L~2,3~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1513453.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. |
1513453.cif |
| 104586 | 2014-03-11 | cif/ Adding structures of 1513451, 1513452, 1513453 via cif-deposit CGI script. |
1513453.cif |
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Users of the data should acknowledge the original authors of the
structural data.