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Information card for entry 7250608
Preview
| Coordinates | 7250608.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H9 F N2 O3 |
|---|---|
| Calculated formula | C10 H9 F N2 O3 |
| Title of publication | H/F Replacement in secondary alcohols of sydnones as examples of isostructural OH···O=C hydrogen bonded dimer structures |
| Authors of publication | Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 14.8617 ± 0.0014 Å |
| b | 6.9928 ± 0.0008 Å |
| c | 19.4887 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2025.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0852 |
| Residual factor for significantly intense reflections | 0.0607 |
| Weighted residual factors for significantly intense reflections | 0.1205 |
| Weighted residual factors for all reflections included in the refinement | 0.133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300282 (current) | 2025-07-02 | cif/ Adding structures of 7250606, 7250607, 7250608, 7250609, 7250610 via cif-deposit CGI script. |
7250608.cif |
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Users of the data should acknowledge the original authors of the
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