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Information card for entry 7240224
Preview
| Coordinates | 7240224.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H16 N O2 |
|---|---|
| Calculated formula | C15 H16 N O2 |
| Title of publication | Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals |
| Authors of publication | Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B. |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 5.6951 ± 0.0011 Å |
| b | 32.968 ± 0.007 Å |
| c | 7.2241 ± 0.0014 Å |
| α | 90° |
| β | 109.74 ± 0.03° |
| γ | 90° |
| Cell volume | 1276.7 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0777 |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.1316 |
| Weighted residual factors for all reflections included in the refinement | 0.1378 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249813 (current) | 2020-03-28 | cif/ Adding structures of 7240223, 7240224, 7240225, 7240226, 7240227 via cif-deposit CGI script. |
7240224.cif |
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Users of the data should acknowledge the original authors of the
structural data.