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CIF Information Card
Information card for 2010631
2010630 << 2010631 >> 2010632Preview
|
Coordinates |
2010631.cif |
Structure parameters
| Common name | (R)-(-)-4-(3,4-dichlorophenyl)-4-(2-pyridyl)butanoic acid . L-(-)-ephedrine |
| Formula | - C25 H28 Cl2 N2 O3 - |
| Calculated formula | - C25 H28 Cl2 N2 O3 - |
| Title of publication | Absolute configuration of (-)-4-(3,4-dichlorophenyl)-4-(2-pyridyl)butanoic acid: essential information to determine crucial steric features of arpromidine-type histamine H~2~ receptor agonists |
| Authors of publication | Manfred Zabel; Josef Breu; Franz Rau; Klaus-Jürgen Range; Volker Krey; Anka Uffrecht; Armin Buschauer |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Pages of publication | 250 - 251 |
| a | 13.238 ± 0.0011 Å |
| b | 5.9089 ± 0.0004 Å |
| c | 16.3148 ± 0.0015 Å |
| α | 90° |
| β | 111.335 ± 0.009° |
| γ | 90° |
| Cell volume | 1188.72 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |