Information card for entry 7251465

Structure parameters

• Chemical name: Ivacaftor
• Formula: C24 H28 N2 O3
• Calculated formula: C24 H28 N2 O3
• Title of publication: Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies
• Authors of publication: Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 11.867 ± 0.002 Å
• b: 5.9451 ± 0.0011 Å
• c: 14.816 ± 0.003 Å
• α: 90°
• β: 105.328 ± 0.007°
• γ: 90°
• Cell volume: 1008.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No