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Information card for entry 7151892
Preview
| Coordinates | 7151892.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C39 H38 N4 O5 |
|---|---|
| Calculated formula | C39 H38 N4 O5 |
| SMILES | O=C1N(/N=C/c2c(=O)c3cc(OC)ccc3oc2)C2(c3c(Oc4c2ccc(c4)N(CC)CC)cc(cc3)N(CC)CC)c2c1cccc2 |
| Title of publication | Synthesis, crystal structure and living cell imaging of a Cu2±specific molecular probe |
| Authors of publication | Liu, Wei-Yong; Li, Hai-Ying; Zhao, Bao-Xiang; Miao, Jun-Ying |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 13 |
| Pages of publication | 4802 |
| a | 15.475 ± 0.006 Å |
| b | 12.2 ± 0.004 Å |
| c | 18.441 ± 0.007 Å |
| α | 90° |
| β | 107.63 ± 0.007° |
| γ | 90° |
| Cell volume | 3318 ± 2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0949 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.1414 |
| Weighted residual factors for all reflections included in the refinement | 0.1666 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151892.cif |
| 180304 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/18. |
7151892.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151892.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151892.cif |
| 21440 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151892 via cif-deposit CGI script. |
7151892.cif |
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Users of the data should acknowledge the original authors of the
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