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Information card for entry 4338038
Preview
| Coordinates | 4338038.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H29 N5 O4 |
|---|---|
| Calculated formula | C30 H29 N5 O4 |
| SMILES | c12ccc(c3cccc(c13)C(=O)N(C2=O)CC(=O)OCC)NCCN(Cc1ccccn1)Cc1ccccn1 |
| Title of publication | Fluorescent Rhenium-Naphthalimide Conjugates as Cellular Imaging Agents. |
| Authors of publication | Langdon-Jones, Emily E; Symonds, Nadine O.; Yates, Sara E.; Hayes, Anthony J.; Lloyd, David; Williams, Rebecca; Coles, Simon J.; Horton, Peter N.; Pope, Simon J. A. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 7 |
| Pages of publication | 3788 |
| a | 4.8867 ± 0.0002 Å |
| b | 33.784 ± 0.002 Å |
| c | 14.9055 ± 0.001 Å |
| α | 90° |
| β | 92.598 ± 0.002° |
| γ | 90° |
| Cell volume | 2458.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0534 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1108 |
| Weighted residual factors for all reflections included in the refinement | 0.1196 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4338038.cif |
| 179483 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/80. |
4338038.cif |
| 110325 | 2014-04-18 | cod/cif/ (saulius@koala.ibt.lt) Appending periods (".") to author initials in the recently added bibliographies (using 'cif_reformat_pubmed_author_names'). |
4338038.cif |
| 109952 | 2014-04-17 | cif/ Updating files of 4338038 Original log message: Adding full bibliography for 4338038.cif. |
4338038.cif |
| 108551 | 2014-04-02 | cif/ Adding structures of 4338038 via cif-deposit CGI script. |
4338038.cif |
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