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Information card for entry 7240211
Preview
| Coordinates | 7240211.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Acridine 5-Methyl-2-(propan-2-yl)phenol |
|---|---|
| Formula | C23 H23 N O |
| Calculated formula | C23 H23 N O |
| SMILES | Oc1cc(ccc1C(C)C)C.n1c2c(cc3c1cccc3)cccc2 |
| Title of publication | Systematic coformer contribution to cocrystal stabilization: energy and packing trends |
| Authors of publication | Mazzeo, Paolo Pio; Canossa, Stefano; Carraro, Claudia; Pelagatti, Paolo; Bacchi, Alessia |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 12.1372 ± 0.0001 Å |
| b | 9.1209 ± 0.0001 Å |
| c | 17.2439 ± 0.0002 Å |
| α | 90° |
| β | 108.629 ± 0.001° |
| γ | 90° |
| Cell volume | 1808.92 ± 0.03 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0629 |
| Residual factor for significantly intense reflections | 0.0617 |
| Weighted residual factors for significantly intense reflections | 0.1611 |
| Weighted residual factors for all reflections included in the refinement | 0.1627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249770 (current) | 2020-03-27 | cif/ Adding structures of 7240210, 7240211 via cif-deposit CGI script. |
7240211.cif |
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