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Information card for entry 7242887
Preview
| Coordinates | 7242887.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H13 N3 O3 |
|---|---|
| Calculated formula | C13 H13 N3 O3 |
| SMILES | [O-]c1ccc(N(=O)=O)cc1.[NH2+]=C(c1ccccc1)N |
| Title of publication | Direct enantioseparation of axially chiral 1,1′-biaryl-2,2′-diols using amidine-based resolving agents |
| Authors of publication | Kodama, Koichi; Takase, Fusato; Hirose, Takuji |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 30 |
| Pages of publication | 18162 - 18170 |
| a | 9.4244 ± 0.0013 Å |
| b | 5.0509 ± 0.0007 Å |
| c | 13.2982 ± 0.0018 Å |
| α | 90° |
| β | 100.928 ± 0.002° |
| γ | 90° |
| Cell volume | 621.54 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0527 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.1366 |
| Weighted residual factors for all reflections included in the refinement | 0.1376 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265356 (current) | 2021-05-20 | cif/ Adding structures of 7242886, 7242887, 7242888 via cif-deposit CGI script. |
7242887.cif |
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Users of the data should acknowledge the original authors of the
structural data.