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Information card for entry 1503708
Preview
| Coordinates | 1503708.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C19 H27 N O6 |
|---|---|
| Calculated formula | C19 H27 N O6 |
| SMILES | C(=C1\C(=O)N([C@H](C1=O)C[C@](O)(C(C)C)C(=O)O)C)(\O)/C=C/C=C/CCC |
| Title of publication | Harzianic acid, an antifungal and plant growth promoting metabolite from Trichoderma harzianum. |
| Authors of publication | Vinale, Francesco; Flematti, Gavin; Sivasithamparam, Krishnapillai; Lorito, Matteo; Marra, Roberta; Skelton, Brian W.; Ghisalberti, Emilio L. |
| Journal of publication | Journal of natural products |
| Year of publication | 2009 |
| Journal volume | 72 |
| Journal issue | 11 |
| Pages of publication | 2032 - 2035 |
| a | 6.557 ± 0.0002 Å |
| b | 20.0101 ± 0.0004 Å |
| c | 7.6041 ± 0.0002 Å |
| α | 90° |
| β | 105.323 ± 0.003° |
| γ | 90° |
| Cell volume | 962.24 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0261 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0659 |
| Weighted residual factors for all reflections included in the refinement | 0.0662 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1503708.cif |
| 201954 | 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. |
1503708.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1503708.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503708.cif |
| 39007 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503708 via cif-deposit CGI script. |
1503708.cif |
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Users of the data should acknowledge the original authors of the
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