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Information card for entry 2312851
Preview
| Coordinates | 2312851.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | n-Hexylamine |
|---|---|
| Formula | C6 H15 N |
| Calculated formula | C6 H15 N |
| Title of publication | High-pressure crystal structure of n-hexylamine. |
| Authors of publication | Kuleczka, Bernadetta; Sacharczuk, Natalia; Olejniczak, Anna; Podsiadło, Marcin |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 6 |
| a | 6.905 ± 0.0009 Å |
| b | 17.549 ± 0.007 Å |
| c | 5.5212 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 669 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Cell measurement pressure | 500000 kPa |
| Number of distinct elements | 3 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.1726 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.0871 |
| Weighted residual factors for all reflections included in the refinement | 0.118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299817 (current) | 2025-05-27 | cif/ Adding structures of 2312851, 2312852, 2312853 via cif-deposit CGI script. |
2312851.cif |
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