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Information card for entry 8106979
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| Coordinates | 8106979.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4,4'bipiperidinium dichloride 0.12 hydrate |
|---|---|
| Formula | C10 H22.24 Cl2 N2 O0.12 |
| Calculated formula | C10 H22.24 Cl2 N2 O0.12 |
| Title of publication | Crystal structure of 4,4′-bipiperidinium dichloride 0.12 hydrate, C10H22N2Cl2 · 0.12 H2O |
| Authors of publication | Socha, Paweƚ; Dobrzycki, Lukasz |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 693 - 694 |
| a | 9.6661 ± 0.0008 Å |
| b | 7.3063 ± 0.0006 Å |
| c | 19.327 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1364.94 ± 0.19 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 64 |
| Hermann-Mauguin space group symbol | C m c e |
| Hall space group symbol | -C 2ac 2 |
| Residual factor for all reflections | 0.0448 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.1009 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282041 (current) | 2023-03-24 | cif/ Adding structures of 8106979 via cif-deposit CGI script. |
8106979.cif |
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Users of the data should acknowledge the original authors of the
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