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CIF Information Card
Information card for 2013952
2013951 << 2013952 >> 2013953Preview
|
Coordinates |
2013952.cif |
|
Structure factors |
2013952.hkl |
Structure parameters
| Formula | - C23 H20 Cl N O S - |
| Calculated formula | - C23 H20 Cl N O S - |
| Title of publication | Molecular conformation and supramolecular aggregation in four 2,3,4,5-tetrahydro-3,4-diphenylbenzothiazepines |
| Authors of publication | Muthukumar, Manivannan; Thanikasalam, Kanagasabapathy; Mohamed, E. Mothi; Low, John N.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2004 |
| Journal volume | 60 |
| Pages of publication | o421 - o426 |
| a | 12.6348 ± 0.0004 Å |
| b | 11.9337 ± 0.0005 Å |
| c | 12.7904 ± 0.0005 Å |
| α | 90° |
| β | 92.549 ± 0.002° |
| γ | 90° |
| Cell volume | 1926.63 ± 0.13 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |