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Information card for entry 1551648
Preview
| Coordinates | 1551648.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H12 Br N O2 |
|---|---|
| Calculated formula | C14 H12 Br N O2 |
| SMILES | Brc1cc(c(cc1)O)C/[NH+]=C/c1c(cccc1)[O-] |
| Title of publication | Synthesis and Crystal Structure of N-Salicylidene-2-hydroxy-5-bromobenzylamine |
| Authors of publication | MASUDA, Naoyuki; KAKUTA, Yoshihisa; YOSHIOKA, Daisuke; MIKURIYA, Masahiro |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2014 |
| Journal volume | 30 |
| Journal issue | 0 |
| Pages of publication | 7 |
| a | 11.3923 ± 0.0017 Å |
| b | 12.7998 ± 0.0019 Å |
| c | 8.6342 ± 0.0013 Å |
| α | 90° |
| β | 97.097 ± 0.003° |
| γ | 90° |
| Cell volume | 1249.4 ± 0.3 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0359 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0679 |
| Weighted residual factors for all reflections included in the refinement | 0.0693 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216259 (current) | 2019-06-20 | cif/ Adding structures of 1551648 via cif-deposit CGI script. |
1551648.cif |
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Users of the data should acknowledge the original authors of the
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