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Information card for entry 2005186
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| Coordinates | 2005186.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C20.5 H24 Br N O6.5 |
|---|---|
| Calculated formula | C21.5 H27 Br N O7 |
| Title of publication | A C(10)-Oxygenated <i>ABC</i>-Ring Analogue of Paclitaxel (Taxol^T^^M^) |
| Authors of publication | Banwell, M. G.; Hockless, D. C. R.; Peters, S. C. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 7 |
| Pages of publication | 1832 - 1834 |
| a | 7.623 ± 0.002 Å |
| b | 9.046 ± 0.002 Å |
| c | 15.768 ± 0.003 Å |
| α | 80.06 ± 0.02° |
| β | 86.19 ± 0.02° |
| γ | 72.03 ± 0.01° |
| Cell volume | 1018.7 ± 0.4 Å3 |
| Cell temperature | 213 ± 1 K |
| Ambient diffraction temperature | 213 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0461 |
| Goodness-of-fit parameter for significantly intense reflections | 2.904 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.