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Information card for entry 7241574
Preview
| Coordinates | 7241574.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | bis-hexamethylenetetramine succinic acid |
|---|---|
| Formula | C16 H30 N8 O4 |
| Calculated formula | C16 H30 N8 O4 |
| 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 | 21.847 ± 0.001 Å |
| b | 6.9981 ± 0.0004 Å |
| c | 26.359 ± 0.002 Å |
| α | 90° |
| β | 102.17 ± 0.001° |
| γ | 90° |
| Cell volume | 3939.4 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.073 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.1627 |
| Weighted residual factors for all reflections included in the refinement | 0.1802 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7241574.cif |
| 259315 | 2020-11-29 | cif/ Adding structures of 7241569, 7241570, 7241571, 7241572, 7241573, 7241574, 7241575, 7241576, 7241577, 7241578 via cif-deposit CGI script. |
7241574.cif |
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Users of the data should acknowledge the original authors of the
structural data.