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Information card for entry 2104947
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| Coordinates | 2104947.cif |
|---|---|
| Structure factors | 2104947.hkl |
| Original IUCr paper | HTML |
| Chemical name | bis(cinnamic acid).(hexamethylenetetramine) |
|---|---|
| Formula | C24 H28 N4 O4 |
| Calculated formula | C24 H28 N4 O4 |
| Title of publication | Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature |
| Authors of publication | Lemmerer, Andreas |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | 177 - 192 |
| a | 30.803 ± 0.0006 Å |
| b | 9.6904 ± 0.0002 Å |
| c | 7.3655 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2198.55 ± 0.07 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.0327 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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