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Information card for entry 8106776
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| Coordinates | 8106776.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | trans-1,2-bis(pyridinium-4-yl)ethylene-2-carboxy-4-methylbenzoate |
|---|---|
| Formula | C15 H16 N O4 |
| Calculated formula | C15 H16 N O4 |
| Title of publication | Crystal structure of trans-1,2-bis(pyridinium-4-yl)ethylene–2-carboxy-4-methylbenzoate (1/2), C30H26N2O8 |
| Authors of publication | Jing, Liu; Min-Le, Han |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 31 - 33 |
| a | 17.567 ± 0.002 Å |
| b | 13.1375 ± 0.0017 Å |
| c | 13.4212 ± 0.0017 Å |
| α | 90° |
| β | 124.084 ± 0.001° |
| γ | 90° |
| Cell volume | 2565.3 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0629 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0744 |
| Weighted residual factors for all reflections included in the refinement | 0.0839 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280881 (current) | 2023-02-14 | cif/ Adding structures of 8106776 via cif-deposit CGI script. |
8106776.cif |
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Users of the data should acknowledge the original authors of the
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