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Information card for entry 2203311
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| Coordinates | 2203311.cif |
|---|---|
| Structure factors | 2203311.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Bromo-1,3-dipyrrolidin-1-ylpropane-1,3-dionate bromide |
|---|---|
| Formula | C11 H18 Br2 N2 O2 |
| Calculated formula | C11 H18 Br2 N2 O2 |
| Title of publication | 2-Bromo-1,3-dipyrrolidin-1-ylpropane-1,3-dionate bromide |
| Authors of publication | Jonathan D. Crane; Richard P. Bunce |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 3 |
| Pages of publication | o414 - o415 |
| a | 13.4235 ± 0.0013 Å |
| b | 12.9358 ± 0.001 Å |
| c | 8.2935 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1440.1 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.0613 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1209 |
| Weighted residual factors for all reflections included in the refinement | 0.1312 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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