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Information card for entry 7242314
Preview
| Coordinates | 7242314.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H15 F N2 O3 |
|---|---|
| Calculated formula | C15 H15 F N2 O3 |
| SMILES | C1(=O)NC2(C(=O)N1C(=O)c1ccc(cc1)F)CCCCC2 |
| Title of publication | On the supramolecular outcomes of fluorination of cyclohexane-5-spirohydantoin derivatives |
| Authors of publication | Gak Simić, Kristina; Đorđević, Ivana; Lazić, Anita; Radovanović, Lidija; Petković-Benazzouz, Marija; Rogan, Jelena; Trišović, Nemanja; Janjić, Goran |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 13 |
| Pages of publication | 2606 - 2622 |
| a | 5.9981 ± 0.0012 Å |
| b | 11.148 ± 0.002 Å |
| c | 12.073 ± 0.002 Å |
| α | 108.98 ± 0.03° |
| β | 101.57 ± 0.03° |
| γ | 105.27 ± 0.03° |
| Cell volume | 699.3 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0733 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1073 |
| Weighted residual factors for all reflections included in the refinement | 0.1198 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265966 (current) | 2021-06-05 | cif/ Updating files of 7242313, 7242314 Original log message: Adding full bibliography for 7242313--7242314.cif. |
7242314.cif |
| 262206 | 2021-02-25 | cif/ Adding structures of 7242313, 7242314 via cif-deposit CGI script. |
7242314.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.