Crystal Structure of Canagliflozin
Id | 2241659 |
Common name | canagliflozin |
Chemical name | (2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>,6<i>R</i>)-2-(3-{[5-(4-Fluorophenyl)thiophen-2-yl]methyl}-4-methylphenyl)-6-(hydroxymethyl)-3,4,5,6-tetrahydro-2<i>H</i>-pyran-3,4,5-triol hemihydrate |
a (Å) | 8.4259(4) |
b (Å) | 11.4264(7) |
c (Å) | 45.706(2) |
α (°) | 90.00 |
β (°) | 90.00 |
γ (°) | 90.00 |
V (Å3) | 4400.5(4) |
Space group | P 21 21 21 |
Temperature (K) | 296(2) |
Rint | 0.0800 |
Publication: Acta Crystallographica Section E (2016) 72, 5 734-736