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Information card for entry 7054592
Preview
| Coordinates | 7054592.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H17 N O4 S |
|---|---|
| Calculated formula | C16 H17 N O4 S |
| SMILES | S(c1ccc(cc1)C)Cc1cc(OC)c(cc1N(=O)=O)OC |
| Title of publication | Bimolecular photoactivation of NBD fluorescence |
| Authors of publication | Ragab, Sherif Shaban; Swaminathan, Subramani; Garcia-Amorós, Jaume; Captain, Burjor; Raymo, Françisco M. |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 3 |
| Pages of publication | 1570 |
| a | 15.7805 ± 0.0009 Å |
| b | 5.0908 ± 0.0003 Å |
| c | 21.06 ± 0.0013 Å |
| α | 90° |
| β | 110.851 ± 0.001° |
| γ | 90° |
| Cell volume | 1581.06 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0523 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180099 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/45. |
7054592.cif |
| 133469 | 2015-03-06 | cif/ Updating files of 7054592 Original log message: Adding full bibliography for 7054592.cif. |
7054592.cif |
| 128541 | 2014-12-12 | cif/ Adding structures of 7054592 via cif-deposit CGI script. |
7054592.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.