Information card for entry 7248310

Structure parameters

• Chemical name: Niraparib tosylate monohydrate
• Formula: C26 H30 N4 O5 S
• Calculated formula: C26 H30 N4 O5 S
• Title of publication: A Zwitterionic Salt-Cocrystal: In-Vitro Insights from Niraparib Tosylate, an Anti-Cancer Drug
• Authors of publication: Mudda, Ramesh Reddy; Devarapalli, Ramesh; Das, Arijit; Lakkireddy, Pullareddy; Reddy, Chilla Malla; Chennuru, Ramanaiah
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 7.1123 ± 0.0002 Å
• b: 12.6881 ± 0.0003 Å
• c: 13.3199 ± 0.0003 Å
• α: 88.7065 ± 0.0017°
• β: 87.275 ± 0.002°
• γ: 82.989 ± 0.002°
• Cell volume: 1191.5 ± 0.05 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for significantly intense reflections: 0.1954
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No