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Information card for entry 7152050
Preview
| Coordinates | 7152050.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C41 H41 B Cl2 F6 N6 O2 |
|---|---|
| Calculated formula | C41 H41 B Cl2 F6 N6 O2 |
| Title of publication | Synthesis and antiplasmodial activity of streptocyanine/peroxide and streptocyanine/4-aminoquinoline hybrid dyes. |
| Authors of publication | Maether, Marie-Pierre; Bernat, Virginie; Maturano, Marie; André-Barrès, Christiane; Ladeira, Sonia; Valentin, Alexis; Vial, Henri; Payrastre, Corinne |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 21 |
| Pages of publication | 7400 - 7410 |
| a | 10.6578 ± 0.0002 Å |
| b | 32.0622 ± 0.0006 Å |
| c | 12.1186 ± 0.0003 Å |
| α | 90° |
| β | 100.604 ± 0.001° |
| γ | 90° |
| Cell volume | 4070.36 ± 0.15 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.082 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1367 |
| Weighted residual factors for all reflections included in the refinement | 0.1581 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7152050.cif |
| 180306 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/20. |
7152050.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152050.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7152050.cif |
| 30121 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7152050, 7152051, 7152052 via cif-deposit CGI script. |
7152050.cif |
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Users of the data should acknowledge the original authors of the
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