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Information card for entry 8107176
Preview
| Coordinates | 8107176.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H24 N2 O8 |
|---|---|
| Calculated formula | C26 H24 N2 O8 |
| Title of publication | The crystal structure of 4,4′-bipyridinium bis-(2-hydroxy-3-methoxybenzoate), 2(C8H7.68O4)·C10H8.64N2 |
| Authors of publication | Angevine, Devin J.; Benedict, Jason B. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 4 |
| Pages of publication | 643 - 645 |
| a | 6.917 ± 0.0009 Å |
| b | 26.012 ± 0.003 Å |
| c | 12.7449 ± 0.0017 Å |
| α | 90° |
| β | 91.896 ± 0.004° |
| γ | 90° |
| Cell volume | 2291.9 ± 0.5 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.071 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283678 (current) | 2023-05-11 | cif/ Adding structures of 8107176 via cif-deposit CGI script. |
8107176.cif |
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Users of the data should acknowledge the original authors of the
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