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Information card for entry 2200724
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| Coordinates | 2200724.cif |
|---|---|
| Structure factors | 2200724.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3,5,8,19-Tetraaza-2,9,18-trione-[5^5,13^][11]metacyclophane monohydrate |
|---|---|
| Formula | C18 H26 N4 O4 |
| Calculated formula | C18 H26 N4 O4 |
| Title of publication | 2,9,18-Trioxo-3,5,8,19-tetraaza-[5^5,13^][11]metaphane monohydrate |
| Authors of publication | Kim, Tae Ho; Yang, Sun Young; Lee, Shim Sung; Kim, Jae Sang; Kim, Jineun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 12 |
| Pages of publication | o1200 - o1202 |
| a | 9.3436 ± 0.0008 Å |
| b | 13.4554 ± 0.0012 Å |
| c | 14.2888 ± 0.0012 Å |
| α | 90° |
| β | 94.748 ± 0.002° |
| γ | 90° |
| Cell volume | 1790.3 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0786 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for all reflections included in the refinement | 0.1164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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