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Information card for entry 7241571
Preview
| Coordinates | 7241571.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | hexamethylenetetramine hydrogen succinate succinic acid |
|---|---|
| Formula | C14 H24 N4 O8 |
| Calculated formula | C14 H24 N4 O8 |
| Title of publication | Crystallisation of organic salts by sublimation: salt formation from the gas phase |
| Authors of publication | Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 45 |
| Pages of publication | 7826 - 7831 |
| a | 9.6812 ± 0.0002 Å |
| b | 9.8923 ± 0.0002 Å |
| c | 10.3777 ± 0.0003 Å |
| α | 70.346 ± 0.001° |
| β | 83.328 ± 0.001° |
| γ | 67.442 ± 0.001° |
| Cell volume | 864.26 ± 0.04 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0743 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1219 |
| Weighted residual factors for all reflections included in the refinement | 0.1384 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241571.cif |
| 259315 | 2020-11-29 | cif/ Adding structures of 7241569, 7241570, 7241571, 7241572, 7241573, 7241574, 7241575, 7241576, 7241577, 7241578 via cif-deposit CGI script. |
7241571.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.