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Information card for entry 7112309
Preview
| Coordinates | 7112309.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H18 F6 N P |
|---|---|
| Calculated formula | C15 H18 F6 N P |
| SMILES | [P](F)(F)(F)(F)(F)[F-].c1ccccc1[C@H]([NH2+]Cc1ccccc1)C |
| Title of publication | Chirality transcription and amplification by [2]pseudorotaxanes. |
| Authors of publication | Kuwahara, Shunsuke; Chamura, Rie; Tsuchiya, Sho; Ikeda, Mari; Habata, Yoichi |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 22 |
| Pages of publication | 2186 - 2188 |
| a | 8.7662 ± 0.0006 Å |
| b | 11.1969 ± 0.0007 Å |
| c | 16.9395 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1662.68 ± 0.19 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0757 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1305 |
| Weighted residual factors for all reflections included in the refinement | 0.1501 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7108912 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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