Information card for entry 7244696

Structure parameters

• Common name: Apalutamide-Dimethylformamaide-2:1
• Formula: C45 H37 F8 N11 O5 S2
• Calculated formula: C45 H37 F8 N11 O5 S2
• 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: 12.3588 ± 0.0011 Å
• b: 17.3486 ± 0.0015 Å
• c: 23.177 ± 0.002 Å
• α: 68.252 ± 0.005°
• β: 81.67 ± 0.005°
• γ: 89.735 ± 0.005°
• Cell volume: 4560.4 ± 0.7 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: 0.117
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No