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Information card for entry 1556894
Preview
| Coordinates | 1556894.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Pyridine III |
|---|---|
| Formula | C5 H5 N |
| Calculated formula | C5 H5 N |
| SMILES | c1ccccn1 |
| Title of publication | High-pressure polymorphism in pyridine |
| Authors of publication | Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon |
| Journal of publication | IUCrJ |
| Year of publication | 2020 |
| Journal volume | 7 |
| Journal issue | 1 |
| Pages of publication | 58 - 70 |
| a | 5.4053 ± 0.0004 Å |
| b | 5.4053 ± 0.0004 Å |
| c | 13.4853 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 394 ± 0.06 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0786 |
| Residual factor for significantly intense reflections | 0.0755 |
| Weighted residual factors for significantly intense reflections | 0.1864 |
| Weighted residual factors for all reflections included in the refinement | 0.1956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 0.49594 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246422 (current) | 2020-01-01 | cif/ Adding structures of 1556893, 1556894 via cif-deposit CGI script. |
1556894.cif |
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