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Information card for entry 1574021
Preview
| Coordinates | 1574021.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C29 H44 N2 O2 |
|---|---|
| Calculated formula | C29 H44 N2 O2 |
| SMILES | Oc1cc(cc(c1C/C=C(CCC=C(C)C)\C)O)CCCCC.n1c(c(nc(c1C)C)C)C |
| Title of publication | Surface analysis of cannabigerol cocrystals: linking crystal structure to enhanced properties. |
| Authors of publication | Zmeškalová, Eliška; Stara, František; Havlůjová, Tereza; Šoóš, Miroslav |
| Journal of publication | IUCrJ |
| Year of publication | 2025 |
| Journal volume | 12 |
| Journal issue | 2 |
| a | 8.8766 ± 0.0001 Å |
| b | 17.645 ± 0.0001 Å |
| c | 17.2008 ± 0.0001 Å |
| α | 90° |
| β | 91.5518 ± 0.0006° |
| γ | 90° |
| Cell volume | 2693.13 ± 0.04 Å3 |
| Cell temperature | 95 K |
| Ambient diffraction temperature | 95 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 | 0.036 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for all reflections | 0.0912 |
| Weighted residual factors for significantly intense reflections | 0.0901 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9803 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297922 (current) | 2025-02-28 | cif/ Adding structures of 1574021, 1574022, 1574023 via cif-deposit CGI script. |
1574021.cif |
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Users of the data should acknowledge the original authors of the
structural data.