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Information card for entry 7029517
Preview
| Coordinates | 7029517.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H21 N O7 |
|---|---|
| Calculated formula | C24 H21 N O7 |
| SMILES | Oc1ccccc1N\C(=C1/C(=O)C=C2Oc3c([C@@]2(C1=O)C)c(O)c(c(O)c3C(=O)C)C)C |
| Title of publication | The synthesis, characterization, antimicrobial and antimutagenic activities of hydroxyphenylimino ligands and their metal complexes of usnic acid isolated from Usnea longissima. |
| Authors of publication | Koçer, Sibel; Uruş, Serhan; Cakır, Ahmet; Güllüce, Medine; Dığrak, Metin; Alan, Yusuf; Aslan, Ali; Tümer, Mehmet; Karadayı, Mehmet; Kazaz, Cavit; Dal, Hakan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 16 |
| Pages of publication | 6148 - 6164 |
| a | 7.782 ± 0.003 Å |
| b | 9.277 ± 0.003 Å |
| c | 14.065 ± 0.005 Å |
| α | 90° |
| β | 100.13 ± 0.02° |
| γ | 90° |
| Cell volume | 999.6 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1685 |
| Residual factor for significantly intense reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.1223 |
| Weighted residual factors for all reflections included in the refinement | 0.183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
| 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. |
7029517.cif |
| 180001 | 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 7/02/95. |
7029517.cif |
| 108334 | 2014-03-30 | cif/ Adding structures of 7029517 via cif-deposit CGI script. |
7029517.cif |
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Users of the data should acknowledge the original authors of the
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