Information card for entry 1549235

Structure parameters

• Common name: Triamterene and Ibuprofen salt, DMSO solvate
• Chemical name: Triamterene and Ibuprofen, DMSO solvate
• Formula: C39 H46 N14 O3 S
• Calculated formula: C39 H46 N14 O3 S
• Title of publication: Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules
• Authors of publication: Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William
• Journal of publication: IUCrJ
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 3
• a: 11.2398 ± 0.0003 Å
• b: 13.2439 ± 0.0003 Å
• c: 15.4624 ± 0.0004 Å
• α: 113.595 ± 0.002°
• β: 103.527 ± 0.003°
• γ: 91.977 ± 0.002°
• Cell volume: 2029.46 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No