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Information card for entry 7059418
Preview
| Coordinates | 7059418.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | naphthoquinones |
|---|---|
| Formula | C13 H12 N2 O3 |
| Calculated formula | C13 H12 N2 O3 |
| SMILES | O=C1C(=C(NC(=O)C)C(=O)c2ccccc12)NC |
| Title of publication | Synthesis and biological activity of imidazole based 1,4-naphthoquinones |
| Authors of publication | Choudhari, Dinkar; Salunke-Gawali, Sunita; Chakravarty, Debamitra; Shaikh, Samir R.; Lande, Dipali N.; Gejji, Shridhar P.; Rao, Pradeep Kumar; Satpute, Surekha; Puranik, Vedavati G.; Gonnade, Rajesh |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 17 |
| Pages of publication | 6889 - 6901 |
| a | 7.8552 ± 0.0006 Å |
| b | 13.2661 ± 0.0011 Å |
| c | 21.1966 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2208.9 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0604 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.1026 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.161 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257739 (current) | 2020-10-06 | cif/ Updating files of 7059413, 7059414, 7059415, 7059416, 7059417, 7059418, 7059419 Original log message: Adding full bibliography for 7059413--7059419.cif. |
7059418.cif |
| 252859 | 2020-06-05 | cif/ Updating files of 7059413, 7059414, 7059415, 7059416, 7059417, 7059418, 7059419 Original log message: Adding full bibliography for 7059413--7059419.cif. |
7059418.cif |
| 249564 | 2020-03-20 | cif/ Adding structures of 7059413, 7059414, 7059415, 7059416, 7059417, 7059418, 7059419 via cif-deposit CGI script. |
7059418.cif |
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Users of the data should acknowledge the original authors of the
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