Information card for entry 7248833

Structure parameters

• Formula: C44 H36 F8 N8 O5 S2
• Calculated formula: C44 H36 F8 N8 O5 S2
• Title of publication: Design of Pyrazine Cocrystals of Enzalutamide –a lead from 1, 4-dioxane Solvates
• Authors of publication: Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem; Balasubramanian, Sridhar
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 11.669 ± 0.002 Å
• b: 12.5 ± 0.003 Å
• c: 17.234 ± 0.004 Å
• α: 75.064 ± 0.006°
• β: 84.535 ± 0.006°
• γ: 62.435 ± 0.005°
• Cell volume: 2152.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No