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Information card for entry 7248304
Preview
| Coordinates | 7248304.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C93 H72 Cl12 Fe4 N12 |
|---|---|
| Calculated formula | C93 H72 Cl12 Fe4 N12 |
| Title of publication | Design, synthesis and antimycobacterial activity of Imidazo[1,5-a]quinolines and their Zinc-complexes |
| Authors of publication | Marner, Michael; Kulhanek, Niclas; Eichberg, Johanna; Hardes, Kornelia; Dal-Molin, Michael; Rybniker, Jan; Kirchner, Michael; Schäberle, Till; Goettlich, Richard |
| Journal of publication | RSC Medicinal Chemistry |
| Year of publication | 2024 |
| a | 14.645 ± 0.0018 Å |
| b | 20.687 ± 0.003 Å |
| c | 15.733 ± 0.002 Å |
| α | 90° |
| β | 114.91 ± 0.006° |
| γ | 90° |
| Cell volume | 4323.1 ± 1 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 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 | 0.0488 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1213 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290471 (current) | 2024-03-13 | cif/ Adding structures of 7248303, 7248304, 7248305 via cif-deposit CGI script. |
7248304.cif |
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Users of the data should acknowledge the original authors of the
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