Information card for entry 7251467

Structure parameters

• Chemical name: ivacaftor hydrochloride ethyl acetate solvate
• Formula: C28 H37 Cl N2 O5
• Calculated formula: C28 H37 Cl N2 O5
• 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: 10.2784 ± 0.0014 Å
• b: 10.5283 ± 0.0017 Å
• c: 15.382 ± 0.003 Å
• α: 76.476 ± 0.006°
• β: 85.972 ± 0.005°
• γ: 89.973 ± 0.005°
• Cell volume: 1614.2 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1177
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No