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Information card for entry 7112701
Preview
| Coordinates | 7112701.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H12 F10 N4 O2 Zn |
|---|---|
| Calculated formula | C32 H12 F10 N4 O2 Zn |
| SMILES | [Zn]12(n3c(C=O)ccc3C(=c3[n]1ccc3)c1c(F)c(F)c(F)c(F)c1F)n1c(C=O)ccc1C(=c1[n]2ccc1)c1c(F)c(F)c(F)c(F)c1F |
| Title of publication | Selective and sensitive "turn-on" fluorescent Zn2+ sensors based on di- and tripyrrins with readily modulated emission wavelengths. |
| Authors of publication | Ding, Yubin; Xie, Yongshu; Li, Xin; Hill, Jonathan P.; Zhang, Weibing; Zhu, Weihong |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2011 |
| Journal volume | 47 |
| Journal issue | 19 |
| Pages of publication | 5431 - 5433 |
| a | 56.69 ± 0.005 Å |
| b | 7.655 ± 0.0008 Å |
| c | 13.1551 ± 0.0012 Å |
| α | 90° |
| β | 92.736 ± 0.001° |
| γ | 90° |
| Cell volume | 5702.3 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1155 |
| Residual factor for significantly intense reflections | 0.0729 |
| Weighted residual factors for significantly intense reflections | 0.157 |
| Weighted residual factors for all reflections included in the refinement | 0.177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7112701.cif |
| 180241 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/27. |
7112701.cif |
| 111795 | 2014-04-28 | cif/ Adding structures of 7112701, 7112702, 7112703 via cif-deposit CGI script. |
7112701.cif |
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Users of the data should acknowledge the original authors of the
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