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Information card for entry 1567181
Preview
| Coordinates | 1567181.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Glutaric acid isonicotinamide |
|---|---|
| Mineral name | Form II |
| Formula | C11 H14 N2 O5 |
| Calculated formula | C11 H14 N2 O5 |
| Title of publication | Controlling polymorphism in molecular cocrystals by variable temperature ball milling. |
| Authors of publication | Linberg, Kevin; Röder, Bettina; Al-Sabbagh, Dominik; Emmerling, Franziska; Michalchuk, Adam A. L. |
| Journal of publication | Faraday discussions |
| Year of publication | 2023 |
| Journal volume | 241 |
| Journal issue | 0 |
| Pages of publication | 178 - 193 |
| a | 26.371 ± 0.007 Å |
| b | 5.2029 ± 0.0013 Å |
| c | 8.904 ± 0.002 Å |
| α | 90° |
| β | 99.325 ± 0.002° |
| γ | 90° |
| Cell volume | 1205.5 ± 0.5 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Cell measurement pressure | 0 kPa |
| Ambient diffracton pressure | 0 kPa |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Goodness-of-fit parameter for all reflections | 8.58 |
| 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 |
|---|---|---|---|
| 283357 (current) | 2023-05-05 | cif/ Updating files of 1567181 Original log message: Adding full bibliography for 1567181.cif. |
1567181.cif |
| 276264 | 2022-06-25 | cif/ Adding structures of 1567181 via cif-deposit CGI script. |
1567181.cif |
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