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Information card for entry 7132201
Preview
| Coordinates | 7132201.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H27 Br N2 |
|---|---|
| Calculated formula | C14 H27 Br N2 |
| SMILES | [Br-].n1(cc[n+](c1C)CCCCC)CCCCC |
| Title of publication | Selective and Benign Alkylation of Sulfido-Oxo Stannate Clusters with Propyl, Pentyl, or Hexyl Substituents |
| Authors of publication | Stuhrmann, Gina; Schneider, Jannik; Schmidt, Kilian; Dehnen, Stefanie Susanne |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 8.8924 ± 0.0016 Å |
| b | 13.793 ± 0.003 Å |
| c | 14.286 ± 0.003 Å |
| α | 113.979 ± 0.013° |
| β | 90.289 ± 0.014° |
| γ | 93.083 ± 0.014° |
| Cell volume | 1598 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0875 |
| Residual factor for significantly intense reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.1581 |
| Weighted residual factors for all reflections included in the refinement | 0.175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286881 (current) | 2023-10-11 | cif/ Adding structures of 7132201, 7132202, 7132203, 7132204 via cif-deposit CGI script. |
7132201.cif |
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