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CIF Information Card
Information card for 2015372
2015371 << 2015372 >> 2015373Preview
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Coordinates |
2015372.cif |
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Structure factors |
2015372.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Common name | brucinium hydrogen L-malate pentahydrate |
| Chemical name | 2,3-dimethoxy-10-oxostrychnidinium hydrogen (S)-malate pentahydrate |
| Formula | - C27 H42 N2 O14 - |
| Calculated formula | - C27 H42 N2 O14 - |
| Title of publication | Brucine salts of <i>L</i>-α-hydroxy acids: brucinium hydrogen (<i>S</i>)-malate pentahydrate and anhydrous brucinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate at 130 K |
| Authors of publication | Graham Smith; Urs D. Wermuth; Jonathan M. White |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 6 |
| Pages of publication | o353 - o357 |
| a | 9.2915 ± 0.001 Å |
| b | 9.4337 ± 0.0009 Å |
| c | 16.9287 ± 0.0017 Å |
| α | 76.401 ± 0.002° |
| β | 88.716 ± 0.002° |
| γ | 82.104 ± 0.002° |
| Cell volume | 1428.5 ± 0.3 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 |
| Hall symmetry space group | P 1 |
| Residual factor for all reflections | 0.0414 |
| Residual factor for observed reflections | 0.0357 |
| Weighted residual factors for the observed reflections | 0.0698 |
| Weighted residual factors for all reflections included in the refinement | 0.0724 |
| Goodness-of-fit parameter for observed reflections | 0.898 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |