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Information card for entry 8106430
Preview
| Coordinates | 8106430.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H27 N O3 |
|---|---|
| Calculated formula | C19 H27 N O3 |
| Title of publication | Crystal structure of 8-isopropyl-8-aza-bicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate, C19H27NO3 |
| Authors of publication | Wang, Kun-Yan; Yang, Xiao-Li |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 1 |
| Pages of publication | 53 - 54 |
| a | 6.6207 ± 0.0003 Å |
| b | 9.4712 ± 0.0005 Å |
| c | 28.0365 ± 0.0014 Å |
| α | 90° |
| β | 94.716 ± 0.002° |
| γ | 90° |
| Cell volume | 1752.1 ± 0.15 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1235 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.0945 |
| Weighted residual factors for all reflections included in the refinement | 0.1153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280227 (current) | 2023-01-06 | cif/ Adding structures of 8106430 via cif-deposit CGI script. |
8106430.cif |
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Users of the data should acknowledge the original authors of the
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