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CIF Information Card
Information card for 2015242
2015241 << 2015242 >> 2015243Preview
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Coordinates |
2015242.cif |
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Structure factors |
2015242.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | strychninium N-phthaloyl-\b-alaninate N-phthaloyl-\b-alanine |
| Formula | - C43 H40 N4 O10 - |
| Calculated formula | - C43 H40 N4 O10 - |
| Title of publication | Strychninium <i>N</i>-phthaloyl-β-alaninate <i>N</i>-phthaloyl-β-alanine and brucinium <i>N</i>-phthaloyl-β-alaninate 5.67-hydrate |
| Authors of publication | Agata Białońska; Zbigniew Ciunik |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 4 |
| Pages of publication | o182 - o185 |
| a | 7.788 ± 0.002 Å |
| b | 16.596 ± 0.003 Å |
| c | 27.986 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3617.2 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Residual factor for all reflections | 0.0715 |
| Residual factor for observed reflections | 0.0514 |
| Weighted residual factors for the observed reflections | 0.0927 |
| Weighted residual factors for all reflections included in the refinement | 0.1001 |
| Goodness-of-fit parameter for observed reflections | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |