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Information card for entry 1564853
Preview
| Coordinates | 1564853.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H11 Br O2 |
|---|---|
| Calculated formula | C9 H11 Br O2 |
| SMILES | BrCc1c(OC)cccc1OC |
| Title of publication | 2,6-Dimethoxybenzyl Bromide |
| Authors of publication | Aitken, R. Alan; Saab, Elizabeth A.; Slawin, Alexandra M. Z. |
| Journal of publication | Molbank |
| Year of publication | 2021 |
| Journal volume | 2021 |
| Journal issue | 3 |
| Pages of publication | M1277 |
| a | 13.297 ± 0.008 Å |
| b | 5.033 ± 0.003 Å |
| c | 13.789 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 922.8 ± 1 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0281 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0654 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269817 (current) | 2021-10-07 | cif/ Adding structures of 1564853 via cif-deposit CGI script. |
1564853.cif |
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