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Information card for entry 1545009
Preview
| Coordinates | 1545009.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C11 H13 O5.5 |
|---|---|
| Calculated formula | C11 H13 O5.5 |
| SMILES | O.O=C1C=C[C@H]([C@@]2([C@H]1O)C(=O)OC(=C)[C@@H]2O)C |
| Title of publication | α-Glucosidase Inhibitors from Malbranchea flavorosea. |
| Authors of publication | Verastegui-Omaña, Brisa; Rebollar-Ramos, Daniela; Pérez-Vásquez, Araceli; Martínez, Ana Laura; Madariaga-Mazón, Abraham; Flores-Bocanegra, Laura; Mata, Rachel |
| Journal of publication | Journal of natural products |
| Year of publication | 2017 |
| Journal volume | 80 |
| Journal issue | 1 |
| Pages of publication | 190 - 195 |
| a | 20.881 ± 0.003 Å |
| b | 7.2139 ± 0.0011 Å |
| c | 7.1436 ± 0.0011 Å |
| α | 90° |
| β | 95.201 ± 0.004° |
| γ | 90° |
| Cell volume | 1071.6 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0503 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.1291 |
| Weighted residual factors for all reflections included in the refinement | 0.1293 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1545009.cif |
| 215051 | 2019-05-13 | cif/1 Fixing Z values and formulae |
1545009.cif |
| 191354 | 2017-02-04 | cif/ Updating files of 1545008, 1545009 Original log message: Adding full bibliography for 1545008--1545009.cif. |
1545009.cif |
| 190036 | 2017-01-08 | cif/ Adding structures of 1545009 via cif-deposit CGI script. |
1545009.cif |
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Users of the data should acknowledge the original authors of the
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