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Information card for entry 7240844
Preview
| Coordinates | 7240844.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H20 Cl2 N4 O2 |
|---|---|
| Calculated formula | C30 H20 Cl2 N4 O2 |
| SMILES | Clc1cc(nc2c1ccc1c(Cl)cc(nc21)C(=O)N1CCc2ccccc12)C(=O)N1CCc2ccccc12 |
| Title of publication | The impact of alicyclic substituents on the extraction ability of new family of 1,10-phenanthroline-2,9-diamides |
| Authors of publication | Lemport, Pavel S.; Matveev, Petr I.; Yatsenko, Alexander V.; Evsiunina, Mariia V.; Petrov, Valentine S.; Tarasevich, Boris N.; Roznyatovsky, Vitaly A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Zhokhov, Sergey S.; Solov'ev, Vitaly P.; Aslanov, Leonid A.; Petrov, Vladimir G.; Kalmykov, Stepan N.; Nenajdenko, Valentine G.; Ustyniuk, Yuri A. |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 44 |
| Pages of publication | 26022 - 26033 |
| a | 7.241 ± 0.0014 Å |
| b | 11.68 ± 0.002 Å |
| c | 14.506 ± 0.003 Å |
| α | 103.259 ± 0.014° |
| β | 95.03 ± 0.002° |
| γ | 97.662 ± 0.018° |
| Cell volume | 1174.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0796 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.14 |
| Weighted residual factors for all reflections included in the refinement | 0.1531 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.79272 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240844.cif |
| 257978 | 2020-10-06 | cif/ Updating files of 7240841, 7240842, 7240843, 7240844 Original log message: Adding full bibliography for 7240841--7240844.cif. |
7240844.cif |
| 254199 | 2020-07-11 | cif/ Adding structures of 7240841, 7240842, 7240843, 7240844 via cif-deposit CGI script. |
7240844.cif |
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Users of the data should acknowledge the original authors of the
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