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Information card for entry 2242110
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| Coordinates | 2242110.cif |
|---|---|
| Structure factors | 2242110.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 4-Methoxybenzoic acid‒1,3-bis(pyridin-4-yl)propane (2/1) |
|---|---|
| Formula | C29 H30 N2 O6 |
| Calculated formula | C29 H30 N2 O6 |
| Title of publication | Crystal structures of 4-methoxybenzoic acid‒1,3-bis(pyridin-4-yl)propane (2/1) and biphenyl-4,4'-dicarboxylic acid‒4-methoxypyridine (1/2) |
| Authors of publication | Gotoh, Kazuma; Ishida, Hiroyuki |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 8 |
| Pages of publication | 1192 - 1196 |
| a | 7.759 ± 0.003 Å |
| b | 8.733 ± 0.004 Å |
| c | 19.904 ± 0.007 Å |
| α | 91.087 ± 0.016° |
| β | 90.593 ± 0.017° |
| γ | 113.241 ± 0.015° |
| Cell volume | 1238.8 ± 0.9 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0513 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1026 |
| Weighted residual factors for all reflections included in the refinement | 0.1055 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198829 (current) | 2017-07-20 | cif/ hkl/ Adding structures of 2242110, 2242111 via cif-deposit CGI script. |
2242110.cif 2242110.hkl |
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