Information card for entry 2008244

Structure parameters

• Common name: Troglitazone
• Chemical name: 5-{4-[(4a,5,6,7,8,8a-hexahydro-6-hydroxy-2,5,7,8-tetramethylchroman-2- yl)methyloxy]benzyl}thiazolidine-2,4-dione
• Formula: C24 H27 N O5 S
• Calculated formula: C24 H27 N O5 S
• SMILES: S1[C@H](Cc2ccc(OC[C@]3(Oc4c(CC3)c(c(O)c(c4C)C)C)C)cc2)C(=O)NC1=O.S1[C@@H](Cc2ccc(OC[C@@]3(Oc4c(CC3)c(c(O)c(c4C)C)C)C)cc2)C(=O)NC1=O
• Title of publication: Troglitazone, an euglycemic antidiabetic drug
• Authors of publication: K. Vyas; A. Sivalakshmidevi; C. Prabhakar; G. Om Reddy
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 411 - 413
• a: 16.239 ± 0.003 Å
• b: 11.717 ± 0.003 Å
• c: 11.627 ± 0.004 Å
• α: 90°
• β: 93.69 ± 0.02°
• γ: 90°
• Cell volume: 2207.7 ± 1 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections: 1.828
• Goodness-of-fit parameter for all reflections included in the refinement: 2.039
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No