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Information card for entry 1506870
Preview
| Coordinates | 1506870.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C19 H18 O6 |
|---|---|
| Calculated formula | C19 H18 O6 |
| SMILES | o1c(c(OC)c(=O)c2c(O)c(c(O)c(c12)C)C)c1ccc(OC)cc1 |
| Title of publication | Isolation from Eucalyptus occidentalis and identification of a new kaempferol derivative that induces apoptosis in human myeloid leukemia cells. |
| Authors of publication | Benyahia, Samira; Benayache, Samir; Benayache, Fadila; Quintana, José; López, Matías; León, Francisco; Hernández, Juan C; Estévez, Francisco; Bermejo, Jaime |
| Journal of publication | Journal of natural products |
| Year of publication | 2004 |
| Journal volume | 67 |
| Journal issue | 4 |
| Pages of publication | 527 - 531 |
| a | 4.054 ± 0.001 Å |
| b | 16.202 ± 0.006 Å |
| c | 23.979 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1575 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.081 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.1173 |
| Weighted residual factors for all reflections included in the refinement | 0.129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 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. |
1506870.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. |
1506870.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506870.cif |
| 51508 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1506870 via cif-deposit CGI script. |
1506870.cif |
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Users of the data should acknowledge the original authors of the
structural data.