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Information card for entry 7024304
Preview
| Coordinates | 7024304.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | FlamB |
|---|---|
| Formula | C34 H35 B N2 O8 |
| Calculated formula | C34 H35 B N2 O8 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)c1c(/C=N/N2C3(c4ccc(O)cc4Oc4cc(O)ccc34)c3ccccc3C2=O)cccc1.O.OC |
| 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 | 9.62 ± 0.0003 Å |
| b | 12.0315 ± 0.0004 Å |
| c | 14.4614 ± 0.0005 Å |
| α | 100.699 ± 0.002° |
| β | 107.549 ± 0.002° |
| γ | 99.854 ± 0.002° |
| Cell volume | 1521.39 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0886 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.1703 |
| Weighted residual factors for all reflections included in the refinement | 0.1878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.33 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7024304.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. |
7024304.cif |
| 92370 | 2014-01-12 | cif/ Adding structures of 7024303, 7024304, 7024305 via cif-deposit CGI script. |
7024304.cif |
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Users of the data should acknowledge the original authors of the
structural data.