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Information card for entry 1558842
Preview
| Coordinates | 1558842.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Nicotineamide adipic |
|---|---|
| Formula | C12 H16 N2 O5 |
| Calculated formula | C12 H16 N2 O5 |
| Title of publication | Challenging the Ostwald rule of stages in mechanochemical cocrystallisation |
| Authors of publication | Germann, Luzia S.; Arhangelskis, Mihails; Etter, Martin; Dinnebier, Robert E.; Friščić, Tomislav |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 4.9815 ± 0.0002 Å |
| b | 30.3259 ± 0.0019 Å |
| c | 8.9413 ± 0.0004 Å |
| α | 90° |
| β | 93.776 ± 0.004° |
| γ | 90° |
| Cell volume | 1347.82 ± 0.12 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 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 | 0.99 |
| Goodness-of-fit parameter for all reflections | 5.79 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.5406 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255301 (current) | 2020-08-14 | cif/ Adding structures of 1558842 via cif-deposit CGI script. |
1558842.cif |
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