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Information card for entry 4110256
Preview
| Coordinates | 4110256.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H10 O5 |
|---|---|
| Calculated formula | C15 H10 O5 |
| Title of publication | Binding of Genistein to the Estrogen Receptor Based on an Experimental Electron Density Study |
| Authors of publication | Eric J. Yearley; Elizabeth A. Zhurova; Vladimir V. Zhurov; A. Alan Pinkerton |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 15013 - 15021 |
| a | 6.8384 ± 0.0001 Å |
| b | 14.49 ± 0.0002 Å |
| c | 23.5088 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2329.45 ± 0.06 Å3 |
| Cell temperature | 20 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0175 |
| Weighted residual factors for all reflections included in the refinement | 0.0323 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0211 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4110256.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4110256.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110256.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110256.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110256.cif |
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Users of the data should acknowledge the original authors of the
structural data.