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Information card for entry 8106828
Preview
| Coordinates | 8106828.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H40 F4 N6 O10 |
|---|---|
| Calculated formula | C48 H40 F4 N6 O10 |
| Title of publication | Crystal structure of bis[4-(3-carboxy-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium] benzene-1,4-dicarboxylate (C20H18F2N3O3)2(C8H4O4), C48H40F4N6O10 |
| Authors of publication | An, Zhe; Zhu, Ling; Zhao, Xin-Hua |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 211 - 212 |
| a | 29.701 ± 0.002 Å |
| b | 11.194 ± 0.0008 Å |
| c | 13.1275 ± 0.0009 Å |
| α | 90° |
| β | 97.393 ± 0.006° |
| γ | 90° |
| Cell volume | 4328.3 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0839 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1136 |
| Weighted residual factors for all reflections included in the refinement | 0.1337 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281648 (current) | 2023-03-06 | cif/ Adding structures of 8106828 via cif-deposit CGI script. |
8106828.cif |
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Users of the data should acknowledge the original authors of the
structural data.