Information card for entry 7245726

Structure parameters

• Formula: C31 H40 N8 O6
• Calculated formula: C31 H40 N8 O6
• Title of publication: Solubility and permeability enhancement of BCS Class IV drug Ribociclib through cocrystallization
• Authors of publication: Mannava, Murali Krishna Chaitanya M.K.; Garai, Abhijit; Bommaka, Manish Kumar; Solomon, K. Anand; Nangia, Ashwini
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 11.9881 ± 0.0008 Å
• b: 8.0148 ± 0.0005 Å
• c: 32.4063 ± 0.0019 Å
• α: 90°
• β: 93.301 ± 0.002°
• γ: 90°
• Cell volume: 3108.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No