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CIF Information Card
Information card for 2015367
2015366 << 2015367 >> 2015368Preview
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Coordinates |
2015367.cif |
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Structure factors |
2015367.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | Bis(benylammonium) (2R,3R)-(-)-2,3-di-p-toluoyloxybutanedioate dihydrate |
| Formula | - C34 H40 N2 O10 - |
| Calculated formula | - C34 H40 N2 O10 - |
| Title of publication | Two salts of di-<i>p</i>-toluoyltartaric acid with aromatic amines |
| Authors of publication | Luigi R Nassimbeni; Hong Su |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 6 |
| Pages of publication | o358 - o361 |
| a | 6.8805 ± 0.0001 Å |
| b | 19.2606 ± 0.0001 Å |
| c | 25.5545 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3386.55 ± 0.06 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.0375 |
| Residual factor for observed reflections | 0.034 |
| Weighted residual factors for the observed reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0836 |
| Goodness-of-fit parameter for observed reflections | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |