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Information card for entry 7242313
Preview
| Coordinates | 7242313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H16 N2 O3 |
|---|---|
| Calculated formula | C15 H16 N2 O3 |
| SMILES | C1(=O)NC2(C(=O)N1C(=O)c1ccccc1)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 | 6.3079 ± 0.0013 Å |
| b | 10.573 ± 0.002 Å |
| c | 11.415 ± 0.002 Å |
| α | 67.21 ± 0.03° |
| β | 78.84 ± 0.03° |
| γ | 76.16 ± 0.03° |
| Cell volume | 677.2 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0772 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.162 |
| Weighted residual factors for all reflections included in the refinement | 0.1746 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| 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. |
7242313.cif |
| 262206 | 2021-02-25 | cif/ Adding structures of 7242313, 7242314 via cif-deposit CGI script. |
7242313.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.