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Information card for entry 2100846
Preview
| Coordinates | 2100846.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1-hydroxy-8-morpholino-tricyclo[6.5.0.02,7]trideca-2,4,6-triene-13- -spiro-(2'-1',3'-dioxan) (compound 3) |
|---|---|
| Formula | C20 H27 N O4 |
| Calculated formula | C20 H27 N O4 |
| Title of publication | Synthesis and structure of new bronchospasmolytic agents. II |
| Authors of publication | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mouaddib, A.; Caubère, P. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1992 |
| Journal volume | 48 |
| Journal issue | 5 |
| Pages of publication | 687 - 695 |
| a | 10.676 ± 0.004 Å |
| b | 13.31 ± 0.004 Å |
| c | 14.042 ± 0.002 Å |
| α | 99.09 ± 0.02° |
| β | 112.11 ± 0.02° |
| γ | 95.03 ± 0.03° |
| Cell volume | 1801.6 ± 1 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0433 |
| Goodness-of-fit parameter for significantly intense reflections | 0.9398 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | XrayMoKalphamean |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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