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Information card for entry 2011054
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| Coordinates | 2011054.cif |
|---|---|
| Structure factors | 2011054.hkl |
| Original IUCr paper | HTML |
| Chemical name | 7-Methyl-3,7,11,17-tetraazabicyclo[11.3.1]-heptadeca-1(17),13,15-triene trihydrochloride |
|---|---|
| Formula | C14 H27 Cl2.826 N4.174 O0.522 |
| Calculated formula | C14 H27 Cl2.826 N4.174 O0.522 |
| Title of publication | Two hydrochlorides of 7-methyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene |
| Authors of publication | Lodeiro, Carlos; Bastida, Rufina; Macías, Alejandro; Rodríguez, Adolfo; Saint-Maurice, Andre |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 6 |
| Pages of publication | e255 - e256 |
| a | 10.7592 ± 0.0003 Å |
| b | 10.8825 ± 0.0003 Å |
| c | 15.4988 ± 0.0003 Å |
| α | 90° |
| β | 93.9033 ± 0.0013° |
| γ | 90° |
| Cell volume | 1810.5 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.117 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for all reflections included in the refinement | 0.122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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