Information card for entry 7227165

Structure parameters

• Chemical name: Bosutinib anhydrate
• Formula: C26 H29 Cl2 N5 O3
• Calculated formula: C26 H29 Cl2 N5 O3
• Title of publication: Rationalization of the formation and stability of bosutinib solvated forms
• Authors of publication: Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 48
• Pages of publication: 9260
• a: 24.1866 ± 0.0011 Å
• b: 8.1122 ± 0.0002 Å
• c: 13.0215 ± 0.0006 Å
• α: 90°
• β: 91.868 ± 0.003°
• γ: 90°
• Cell volume: 2553.55 ± 0.18 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.1022
• Goodness-of-fit parameter for all reflections: 3.88
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No