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Information card for entry 8107154
Preview
| Coordinates | 8107154.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H19 N O |
|---|---|
| Calculated formula | C10 H19 N O |
| SMILES | [C@@H]12CC[C@@H](C[C@H](C1)O)N2C(C)C |
| Title of publication | Crystal structure of 8-isopropyl-8-aza-bicyclo[3.2.1]octan-3-ol, C10H19NO |
| Authors of publication | Yang, Xiao-Li; Wang, Kun-Yan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 4 |
| Pages of publication | 1233 - 1234 |
| a | 6.2427 ± 0.0016 Å |
| b | 9.553 ± 0.002 Å |
| c | 16.932 ± 0.004 Å |
| α | 90° |
| β | 100.094 ± 0.007° |
| γ | 90° |
| Cell volume | 994.1 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.15 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.0796 |
| Weighted residual factors for all reflections included in the refinement | 0.0941 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283627 (current) | 2023-05-09 | cif/ Adding structures of 8107154 via cif-deposit CGI script. |
8107154.cif |
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Users of the data should acknowledge the original authors of the
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