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Information card for entry 1506794
Preview
| Coordinates | 1506794.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C23 H30 O11 P2 |
|---|---|
| Calculated formula | C23 H30 O11 P2 |
| SMILES | P(=O)(Oc1cc2oc(c3ccccc3)cc(=O)c2c(OP(=O)(OCC)OCC)c1)(OCC)OCC.O |
| Title of publication | The nature of phosphorylated chrysin-protein interactions involved in noncovalent complex formation by electrospray ionization mass spectroscopy. |
| Authors of publication | Chen, Xiao-Lan; Qu, Ling-Bo; Zhang, Ting; Liu, Hong-Xia; Yu, Fei; Yu, Youzhu; Liao, Xincheng; Zhao, Yu-Fen |
| Journal of publication | Analytical chemistry |
| Year of publication | 2004 |
| Journal volume | 76 |
| Journal issue | 1 |
| Pages of publication | 211 - 217 |
| a | 7.8919 ± 0.0016 Å |
| b | 14.421 ± 0.003 Å |
| c | 23.706 ± 0.005 Å |
| α | 90° |
| β | 96.36 ± 0.03° |
| γ | 90° |
| Cell volume | 2681.4 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1034 |
| Residual factor for significantly intense reflections | 0.0669 |
| Weighted residual factors for significantly intense reflections | 0.1736 |
| Weighted residual factors for all reflections included in the refinement | 0.1911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| 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. |
1506794.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. |
1506794.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506794.cif |
| 51359 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1506794 via cif-deposit CGI script. |
1506794.cif |
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Users of the data should acknowledge the original authors of the
structural data.