Information card for entry 7249471

Structure parameters

• Formula: C22 H28 F N4 O7 S
• Calculated formula: C22 H28 F N4 O7 S
• Title of publication: Structural insights into ketanserin salts with aliphatic acids and their physiochemical properties
• Authors of publication: Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 44
• Pages of publication: 6260 - 6268
• a: 8.554 ± 0.003 Å
• b: 10.936 ± 0.005 Å
• c: 12.526 ± 0.005 Å
• α: 85.91 ± 0.02°
• β: 76.418 ± 0.019°
• γ: 87.737 ± 0.017°
• Cell volume: 1135.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No