Information card for entry 7244695

Structure parameters

• Formula: C24 H23 F4 N6 O3 S
• Calculated formula: C24 H23 F4 N6 O3 S
• Title of publication: Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies
• Authors of publication: Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 17.3059 ± 0.0019 Å
• b: 12.222 ± 0.0013 Å
• c: 47.409 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10027.6 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No