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Information card for entry 8107071
Preview
| Coordinates | 8107071.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H37 B Cl N |
|---|---|
| Calculated formula | C32 H37 B Cl N |
| SMILES | [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCC[NH+]1CCCCC1 |
| Title of publication | Crystal structure of 1-(3-chloropropyl)piperidin-1-ium tetraphenylborate, C32H37BClN |
| Authors of publication | Mostafa, Gamal A.E.; Ghabbour, Hazem A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 983 - 985 |
| a | 15.7303 ± 0.0006 Å |
| b | 9.1129 ± 0.0003 Å |
| c | 19.9295 ± 0.0008 Å |
| α | 90° |
| β | 109.143 ± 0.002° |
| γ | 90° |
| Cell volume | 2698.89 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.074 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.1123 |
| Weighted residual factors for all reflections included in the refinement | 0.1265 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282515 (current) | 2023-04-07 | cif/ Adding structures of 8107071 via cif-deposit CGI script. |
8107071.cif |
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Users of the data should acknowledge the original authors of the
structural data.