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Information card for entry 7225389
Preview
| Coordinates | 7225389.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H24 N2 O4 S |
|---|---|
| Calculated formula | C31 H24 N2 O4 S |
| SMILES | s1c(nc2c1cccc2)c1cc2C3(OC(=O)c4ccccc34)c3c(Oc2cc1O)cc(N(CC)CC)cc3 |
| Title of publication | Single Exited State Intramolecular Proton Transfer (ESIPT) containing Rhodol based chemodosimeter for both Hg2+ and OCl-: ratiometric detection with live-cell imaging |
| Authors of publication | Goswami, Shyamaprosad; Manna, Abhishek; Sarkar, Debasish; Quah, Ching Kheng; Fun, Hoong Kun |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 7.742 ± 0.004 Å |
| b | 11.18 ± 0.005 Å |
| c | 15.075 ± 0.007 Å |
| α | 73.813 ± 0.011° |
| β | 85.765 ± 0.012° |
| γ | 80.157 ± 0.01° |
| Cell volume | 1234.2 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1067 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.1109 |
| Weighted residual factors for all reflections included in the refinement | 0.132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183208 (current) | 2016-06-01 | cif/ Adding structures of 7225389 via cif-deposit CGI script. |
7225389.cif |
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Users of the data should acknowledge the original authors of the
structural data.