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Information card for entry 1505803
Preview
| Coordinates | 1505803.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H38 N2 O10 |
|---|---|
| Calculated formula | C36 H38 N2 O10 |
| SMILES | O(C(=O)c1ccc(N(=O)=O)cc1)C/C=C(/[C@H]1[C@@H](/C=C/C=C/C(=O)OC)[C@H]2[C@H](C=C1C)[C@@H](OC(=O)c1ccc(N(=O)=O)cc1)CC[C@@H]2C)C |
| Title of publication | Carneic acids A and B, chemotaxonomically significant antimicrobial agents from the xylariaceous ascomycete Hypoxylon carneum. |
| Authors of publication | Quang, Dang Ngoc; Stadler, Marc; Fournier, Jacques; Asakawa, Yoshinori |
| Journal of publication | Journal of natural products |
| Year of publication | 2006 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | 1198 - 1202 |
| a | 6.564 ± 0.0002 Å |
| b | 15.654 ± 0.0006 Å |
| c | 16.701 ± 0.0006 Å |
| α | 94.618 ± 0.0005° |
| β | 92.568 ± 0.0005° |
| γ | 100.754 ± 0.0005° |
| Cell volume | 1677.32 ± 0.1 Å3 |
| Cell temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1049 |
| Residual factor for significantly intense reflections | 0.0869 |
| Weighted residual factors for significantly intense reflections | 0.2313 |
| Weighted residual factors for all reflections included in the refinement | 0.252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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. |
1505803.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1505803.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505803.cif |
| 47750 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505803 via cif-deposit CGI script. |
1505803.cif |
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Users of the data should acknowledge the original authors of the
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