Information card for entry 7242723

Structure parameters

• Formula: C25 H38 Cl N7 O5 S
• Calculated formula: C25 H38 Cl N7 O5 S
• Title of publication: Desolvation of dasatinib methanolate: an improved anhydrous polymorph
• Authors of publication: Ahmadi, Soroush; Mondal, Pradip Kumar; Mirmehrabi, Mahmoud; Rohani, Sohrab
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 24
• Pages of publication: 4272 - 4283
• a: 17.673 ± 0.004 Å
• b: 8.2835 ± 0.0016 Å
• c: 21.405 ± 0.003 Å
• α: 90°
• β: 109.922 ± 0.012°
• γ: 90°
• Cell volume: 2946 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0749
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No