Information card for entry 4506058

Structure parameters

• Formula: C22 H28 Cl N7 O3 S
• Calculated formula: C22 H28 Cl N7 O3 S
• Title of publication: Structural and Physicochemical Aspects of Dasatinib Hydrate and Anhydrate phases.
• Authors of publication: Roy, Saikat; Quiñones, Rosalynn; Matzger, Adam J.
• Journal of publication: Crystal growth & design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 2122 - 2126
• a: 13.8657 ± 0.0003 Å
• b: 9.2077 ± 0.0002 Å
• c: 37.9347 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4843.17 ± 0.18 ų
• Cell temperature: 95 K
• Ambient diffraction temperature: 95 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No