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Information card for entry 1501997
Preview
| Coordinates | 1501997.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H28 O9 |
|---|---|
| Calculated formula | C25 H28 O9 |
| SMILES | C1(=O)C=C2[C@]3([C@@H](C[C@@]4([C@@]56[C@]7([C@]8([C@](C[C@@]24[C@](C)(O8)O7)([C@]26CO2)C)O)[C@H](C)OC5=O)C)O3)C(C)(C)O1 |
| Title of publication | Dhilirolides A-D, meroterpenoids produced in culture by the fruit-infecting fungus Penicillium purpurogenum collected in Sri Lanka. |
| Authors of publication | de Silva, E. Dilip; Williams, David E.; Jayanetti, Dinith R.; Centko, Ryan M.; Patrick, Brian O.; Wijesundera, Ravi L. C.; Andersen, Raymond J. |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 5 |
| Pages of publication | 1174 - 1177 |
| a | 13.5779 ± 0.0005 Å |
| b | 13.641 ± 0.0005 Å |
| c | 15.0542 ± 0.0006 Å |
| α | 65.339 ± 0.002° |
| β | 65.488 ± 0.002° |
| γ | 64.504 ± 0.002° |
| Cell volume | 2191.1 ± 0.15 Å3 |
| Cell temperature | 90 ± 0.1 K |
| Ambient diffraction temperature | 90 ± 0.1 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 | 0.042 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1047 |
| Weighted residual factors for all reflections included in the refinement | 0.1083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1501997.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. |
1501997.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501997.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501997.cif |
| 35328 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501997 via cif-deposit CGI script. |
1501997.cif |
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Users of the data should acknowledge the original authors of the
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