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Information card for entry 2103906
Preview
| Coordinates | 2103906.cif |
|---|---|
| Structure factors | 2103906.hkl |
| Original IUCr paper | HTML |
| Formula | C17 H32 N4 O4 |
|---|---|
| Calculated formula | C17 H32 N4 O4.0016 |
| Title of publication | Structural changes of hexamethylenetetramine and undecanedioic acid co-crystal (HMT-C11) as a function of the temperature |
| Authors of publication | Pinheiro, Carlos Basílio; Gardon, Manuel; Chapuis, Gervais |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 3 |
| Pages of publication | 416 - 427 |
| a | 9.3593 ± 0.0019 Å |
| b | 29.257 ± 0.006 Å |
| c | 7.2982 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1998.4 ± 0.7 Å3 |
| Cell temperature | 323 ± 2 K |
| Ambient diffraction temperature | 323 ± 2 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 | 0.0857 |
| Residual factor for significantly intense reflections | 0.0727 |
| Weighted residual factors for significantly intense reflections | 0.2296 |
| Weighted residual factors for all reflections included in the refinement | 0.2438 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.193 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
structural data.