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Information card for entry 7063855
Preview
| Coordinates | 7063855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H16 N2 O6 |
|---|---|
| Calculated formula | C18 H16 N2 O6 |
| Title of publication | A concise and highly diastereoselective one-pot synthesis of vicinal tetrasubstituted furofuran analogues |
| Authors of publication | Sneka, Chinnaiyah; Manikandan, Balasubramaniyam; Thamotharan, Subbiah; Blacque, Olivier; Selva Ganesan, Subramaniapillai |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 12.2247 ± 0.0002 Å |
| b | 9.2088 ± 0.0001 Å |
| c | 14.6416 ± 0.0002 Å |
| α | 90° |
| β | 98.134 ± 0.002° |
| γ | 90° |
| Cell volume | 1631.69 ± 0.04 Å3 |
| Cell temperature | 160 ± 0.1 K |
| Ambient diffraction temperature | 160 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | I 1 2 1 |
| Hall space group symbol | I 2y |
| Residual factor for all reflections | 0.0272 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0671 |
| Weighted residual factors for all reflections included in the refinement | 0.0684 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300083 (current) | 2025-06-14 | cif/ Adding structures of 7063855 via cif-deposit CGI script. |
7063855.cif |
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Users of the data should acknowledge the original authors of the
structural data.