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Information card for entry 8107077
Preview
| Coordinates | 8107077.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H34 N3 O8 |
|---|---|
| Calculated formula | C49 H34 N3 O8 |
| Title of publication | Crystal structure of biphenyl-2,3′,5,5′-tetracarboxylic acid – 4,4′-biphenyl-4,4′-diyldipyridine (3/2), C49H34N3O8 |
| Authors of publication | Xin-Hong, Chang; Shi-Hui, Li; De-Guang, Du |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 1003 - 1006 |
| a | 10.066 ± 0.0003 Å |
| b | 14.0604 ± 0.0002 Å |
| c | 14.8204 ± 0.0003 Å |
| α | 106.697 ± 0.001° |
| β | 100.308 ± 0.001° |
| γ | 102.378 ± 0.001° |
| Cell volume | 1896.46 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0779 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1132 |
| Weighted residual factors for all reflections included in the refinement | 0.1258 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282521 (current) | 2023-04-07 | cif/ Adding structures of 8107077 via cif-deposit CGI script. |
8107077.cif |
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Users of the data should acknowledge the original authors of the
structural data.