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Information card for entry 1518769
Preview
| Coordinates | 1518769.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H33 N3 O4 |
|---|---|
| Calculated formula | C25 H33 N3 O4 |
| SMILES | [nH]1c(c(c2cccc(c12)C[C@H](O)C(OC)(C)C)/C=C/1NC(=O)[C@@H](NC1=O)C)C(C=C)(C)C |
| Title of publication | Rubrumazines A-C, Indolediketopiperazines of the Isoechinulin Class from Eurotium rubrum MA-150, a Fungus Obtained from Marine Mangrove-Derived Rhizospheric Soil. |
| Authors of publication | Meng, Ling-Hong; Du, Feng-Yu; Li, Xiao-Ming; Pedpradab, Patchara; Xu, Gang-Ming; Wang, Bin-Gui |
| Journal of publication | Journal of natural products |
| Year of publication | 2015 |
| Journal volume | 78 |
| Journal issue | 4 |
| Pages of publication | 909 - 913 |
| a | 6.0367 ± 0.0005 Å |
| b | 19.1261 ± 0.0015 Å |
| c | 20.5025 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2367.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.2607 |
| Residual factor for significantly intense reflections | 0.1021 |
| Weighted residual factors for significantly intense reflections | 0.1588 |
| Weighted residual factors for all reflections included in the refinement | 0.2663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1518769.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. |
1518769.cif |
| 138259 | 2015-06-05 | cif/ Updating files of 1518769 Original log message: Adding full bibliography for 1518769.cif. |
1518769.cif |
| 132624 | 2015-03-03 | cif/ Adding structures of 1518769 via cif-deposit CGI script. |
1518769.cif |
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Users of the data should acknowledge the original authors of the
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