Information card for entry 7248832

Structure parameters

• Formula: C44 H34 F8 N9 O4 S2
• Calculated formula: C44 H34 F8 N9 O4 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: 11.6684 ± 0.0009 Å
• b: 12.5374 ± 0.001 Å
• c: 17.0985 ± 0.0013 Å
• α: 99.742 ± 0.002°
• β: 94.952 ± 0.002°
• γ: 117.376 ± 0.002°
• Cell volume: 2150.4 ± 0.3 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: 0.0504
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No