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Information card for entry 1513374
Preview
| Coordinates | 1513374.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H24 O8 |
|---|---|
| Calculated formula | C23 H24 O8 |
| SMILES | O1C(=CC2C(=C1)[C@H](O)[C@@](O)(C(=O)C=2CC1C(=O)[C@](O)([C@@H](O)C2=COC(=CC=12)C)C)C)C |
| Title of publication | Mycoleptones A-C and Polyketides from the Endophyte Mycoleptodiscus indicus. |
| Authors of publication | Andrioli, Willian J.; Conti, Raphael; Araújo, Magali J; Zanasi, Riccardo; Cavalcanti, Bruno C.; Manfrim, Viviane; Toledo, Juliano S.; Tedesco, Daniele; de Moraes, Manoel O.; Pessoa, Cláudia; Cruz, Angela K.; Bertucci, Carlo; Sabino, José; Nanayakkara, Dhammika N. P.; Pupo, Mônica T; Bastos, Jairo K. |
| Journal of publication | Journal of natural products |
| Year of publication | 2014 |
| Journal volume | 77 |
| Journal issue | 1 |
| Pages of publication | 70 - 78 |
| a | 10.4726 ± 0.006 Å |
| b | 11.2226 ± 0.0026 Å |
| c | 11.4289 ± 0.0021 Å |
| α | 60.65 ± 0.017° |
| β | 89.832 ± 0.034° |
| γ | 67.745 ± 0.036° |
| Cell volume | 1055.4 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.114 |
| Residual factor for significantly intense reflections | 0.0913 |
| Weighted residual factors for significantly intense reflections | 0.2989 |
| Weighted residual factors for all reflections included in the refinement | 0.322 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.416 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1513374.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
1513374.cif |
| 104249 | 2014-03-10 | cif/ Adding structures of 1513374 via cif-deposit CGI script. |
1513374.cif |
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Users of the data should acknowledge the original authors of the
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