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Information card for entry 1511845
Preview
| Coordinates | 1511845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H24 O8 |
|---|---|
| Calculated formula | C21 H24 O8 |
| SMILES | Oc1c(Cc2c(O)c(c(O)c(c2OC)C)C(=O)C)c(OC)c(c(O)c1C(=O)C)C |
| Title of publication | Antiproliferative and antiplasmodial dimeric phloroglucinols from Mallotus oppositifolius from the Madagascar Dry Forest (1). |
| Authors of publication | Harinantenaina, Liva; Bowman, Jessica D.; Brodie, Peggy J.; Slebodnick, Carla; Callmander, Martin W.; Rakotobe, Etienne; Randrianaivo, Richard; Rasamison, Vincent E.; Gorka, Alexander; Roepe, Paul D.; Cassera, Maria B.; Kingston, David G. I. |
| Journal of publication | Journal of natural products |
| Year of publication | 2013 |
| Journal volume | 76 |
| Journal issue | 3 |
| Pages of publication | 388 - 393 |
| a | 9.4459 ± 0.001 Å |
| b | 12.5596 ± 0.0009 Å |
| c | 16.2541 ± 0.0013 Å |
| α | 90° |
| β | 104.867 ± 0.01° |
| γ | 90° |
| Cell volume | 1863.8 ± 0.3 Å3 |
| Cell temperature | 100.5 K |
| Ambient diffraction temperature | 100.5 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0803 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1496 |
| Weighted residual factors for all reflections included in the refinement | 0.1695 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| 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. |
1511845.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. |
1511845.cif |
| 85743 | 2013-05-07 | cif/ Adding structures of 1511845 via cif-deposit CGI script. |
1511845.cif |
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Users of the data should acknowledge the original authors of the
structural data.