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Information card for entry 2103931
Preview
| Coordinates | 2103931.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C13 H24 N4 O4 |
|---|---|
| Calculated formula | C13 H24 N4 O4 |
| Title of publication | Structural phases of hexamethylenetetramine‒pimelic acid (1/1): a unified description based on a stacking model |
| Authors of publication | Gardon, Manuel; Pinheiro, Carlos B.; Chapuis, Gervais |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 4 |
| Pages of publication | 527 - 536 |
| a | 9.3962 ± 0.0019 Å |
| b | 22.981 ± 0.005 Å |
| c | 7.3338 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1583.6 ± 0.6 Å3 |
| Cell temperature | 324 ± 1 K |
| Ambient diffraction temperature | 324 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | B m m b |
| Hall space group symbol | -B 2b 2 |
| Residual factor for all reflections | 0.1939 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.0647 |
| Weighted residual factors for all reflections included in the refinement | 0.0869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.707 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.