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Information card for entry 7024305
Preview
| Coordinates | 7024305.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | FlamS |
|---|---|
| Formula | C31 H18 D6 N4 O5 |
| Calculated formula | C31 H18 D6 N4 O5 |
| Title of publication | Toward the development of prochelators as fluorescent probes of copper-mediated oxidative stress. |
| Authors of publication | Hyman, Lynne M.; Stephenson, Clifton J.; Dickens, Marina G.; Shimizu, Ken D.; Franz, Katherine J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 2 |
| Pages of publication | 568 - 576 |
| a | 14.8323 ± 0.0006 Å |
| b | 9.7901 ± 0.0004 Å |
| c | 18.5178 ± 0.0007 Å |
| α | 90° |
| β | 99.245 ± 0.001° |
| γ | 90° |
| Cell volume | 2654.04 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0537 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.1064 |
| Weighted residual factors for all reflections included in the refinement | 0.1131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7024305.cif |
| 179948 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/43. |
7024305.cif |
| 92370 | 2014-01-12 | cif/ Adding structures of 7024303, 7024304, 7024305 via cif-deposit CGI script. |
7024305.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.