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Information card for entry 7219501
Preview
| Coordinates | 7219501.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C5 H11 N O |
|---|---|
| Calculated formula | C5 H11 N O |
| SMILES | OC1CCNCC1 |
| Title of publication | Two polymorphs of 4-hydroxypiperidine with different NH configurations |
| Authors of publication | Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 28 |
| Pages of publication | 5206 |
| a | 21.3459 ± 0.0007 Å |
| b | 18.6413 ± 0.0006 Å |
| c | 5.93539 ± 0.00019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2361.78 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0285 |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for significantly intense reflections | 0.0686 |
| Weighted residual factors for all reflections included in the refinement | 0.0694 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7219501.cif |
| 180526 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/95. |
7219501.cif |
| 143452 | 2015-07-11 | cif/ Updating files of 7219500, 7219501, 7219502, 7219503, 7219504 Original log message: Adding full bibliography for 7219500--7219504.cif. |
7219501.cif |
| 131218 | 2015-02-06 | cif/ Adding structures of 7219500, 7219501, 7219502, 7219503, 7219504 via cif-deposit CGI script. |
7219501.cif |
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Users of the data should acknowledge the original authors of the
structural data.