Information card for entry 1560811

Structure parameters

• Formula: C39 H48 Cl2 N4 O4 S
• Calculated formula: C39 H48 Cl2 N4 O4 S
• Title of publication: Amorphous Drug-Polymer Salt with High Stability under Tropical Conditions and Fast Dissolution: The Case of Clofazimine and Poly(acrylic acid).
• Authors of publication: Gui, Yue; McCann, Erin C.; Yao, Xin; Li, Yuhui; Jones, Karen J.; Yu, Lian
• Journal of publication: Molecular pharmaceutics
• Year of publication: 2021
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 1364 - 1372
• a: 10.9239 ± 0.0013 Å
• b: 13.7852 ± 0.0015 Å
• c: 14.6224 ± 0.0016 Å
• α: 116.386 ± 0.01°
• β: 91.271 ± 0.008°
• γ: 108.043 ± 0.006°
• Cell volume: 1842.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0815
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No