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Information card for entry 4101255
Preview
| Coordinates | 4101255.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C29 H25 Cl N2 O2 |
|---|---|
| Calculated formula | C29 H25 Cl N2 O2 |
| SMILES | [Cl-].N1(C(=[NH+][C@]([C@H]1c1ccccc1)(C(=O)O)c1ccccc1)c1ccccc1)Cc1ccccc1 |
| Title of publication | Sensitization of cancer cells to DNA damaging agents by imidazolines. |
| Authors of publication | Sharma, Vasudha; Peddibhotla, Satyamaheshwar; Tepe, Jetze J |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2006 |
| Journal volume | 128 |
| Journal issue | 28 |
| Pages of publication | 9137 - 9143 |
| a | 9.4466 ± 0.0019 Å |
| b | 10.052 ± 0.002 Å |
| c | 13.087 ± 0.003 Å |
| α | 90° |
| β | 98.62 ± 0.03° |
| γ | 90° |
| Cell volume | 1228.7 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.04 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0829 |
| Weighted residual factors for all reflections included in the refinement | 0.0913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.688 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4101255.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4101255.cif |
| 178758 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/12. |
4101255.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4101255.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4101255.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4101255.cif |
| 396 | 2008-06-20 | Adding new CIF files from J-Am-Chem-Soc-2006/. |
4101255.cif |
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Users of the data should acknowledge the original authors of the
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