Information card for entry 7251045

Structure parameters

• Formula: C60 H60 N14 O15
• Calculated formula: C60 H60 N14 O15
• Title of publication: Emphasis on pharmaceutically acceptable solvates: linking solubility with isostructurality for better drug design
• Authors of publication: Mudda, Ramesh Reddy; Devarapalli, Ramesh; Bollineni, Manjunath; Das, Arijit; Chennuru, Ramanaiah
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 46
• Pages of publication: 7562 - 7574
• a: 9.5583 ± 0.0005 Å
• b: 9.59 ± 0.0005 Å
• c: 17.1147 ± 0.0005 Å
• α: 78.722 ± 0.003°
• β: 79.352 ± 0.003°
• γ: 69.659 ± 0.005°
• Cell volume: 1430.89 ± 0.12 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No