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CIF Information Card
Information card for 1100265
1100264 << 1100265 >> 1100266Preview
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Coordinates |
1100265.cif |
Structure parameters
| Chemical name | (-)-(S,S)-1,3-bis(4-(4-Methylphenylsulfinyl)phenylamino)trimethinium bromide t rihydrate |
| Formula | - C29 H33 Br N2 O5 S2 - |
| Calculated formula | - C29 H31 Br N2 O5 S2 - |
| Authors of publication | C.Reichardt; H.-P.Erfurt; K.Harms; G.Schafer |
| Journal of publication | Eur.J.Org.Chem. |
| Year of publication | 2002 |
| Pages of publication | 439 |
| a | 5.4024 ± 0.0004 Å |
| b | 16.4819 ± 0.0013 Å |
| c | 33.13 ± 0.018 Å |
| α | 90° |
| β | 91.4 ± 0.02° |
| γ | 90° |
| Cell volume | 2949.07 Å3 |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for observed reflections | 4.78 |
| Weighted residual factors for the observed reflections | 4.78 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |