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Information card for entry 7235072
Preview
| Coordinates | 7235072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H20 Cl2 N2 O4 |
|---|---|
| Calculated formula | C19 H20 Cl2 N2 O4 |
| Title of publication | Specific features of supramolecular organisation and hydrogen bonding in proline cocrystals: a case study of fenamates and diclofenac |
| Authors of publication | Surov, Artem O.; Voronin, Alexander P.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 43 |
| Pages of publication | 6970 |
| a | 9.2716 ± 0.0009 Å |
| b | 5.2277 ± 0.0005 Å |
| c | 20.3473 ± 0.0019 Å |
| α | 90° |
| β | 102.235 ± 0.001° |
| γ | 90° |
| Cell volume | 963.82 ± 0.16 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0307 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.0667 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227779 (current) | 2019-11-14 | cif/ Adding structures of 7235070, 7235071, 7235072 via cif-deposit CGI script. |
7235072.cif |
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Users of the data should acknowledge the original authors of the
structural data.