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Information card for entry 4001453
Preview
| Coordinates | 4001453.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 N7 O9 |
|---|---|
| Calculated formula | C18 H18 N7 O9 |
| SMILES | O=C(c1cc[nH+]cc1)Nc1cccc(n1)NC(=O)c1cc[nH+]cc1.[O-]N(=O)=O.[O-]N(=O)=O.OC |
| Title of publication | Strongly Fluorescent Hydrogel as a Blue-Emitting Nanomaterial: An Approach toward Understanding Fluorescence−Structure Relationship |
| Authors of publication | Kim, Tae Ho; Seo, Joobeom; Lee, Soo Jin; Lee, Shim Sung; Kim, Jineun; Jung, Jong Hwa |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2007 |
| Journal volume | 19 |
| Journal issue | 24 |
| Pages of publication | 5815 |
| a | 8.92 ± 0.0018 Å |
| b | 11.111 ± 0.002 Å |
| c | 11.748 ± 0.002 Å |
| α | 110.96 ± 0.03° |
| β | 100.17 ± 0.03° |
| γ | 94.53 ± 0.03° |
| Cell volume | 1057.3 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1455 |
| Residual factor for significantly intense reflections | 0.1307 |
| Weighted residual factors for significantly intense reflections | 0.378 |
| Weighted residual factors for all reflections included in the refinement | 0.4041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.03 |
| Diffraction radiation wavelength | 0.82657 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001453.cif |
| 120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4001453.cif |
| 45270 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 4001451, 4001452, 4001453 via cif-deposit CGI script. |
4001453.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.