Information card for entry 1564146

Structure parameters

• Formula: C49.8 H81.1 O15.75
• Calculated formula: C49.8 H81.09 O15.745
• Title of publication: Crystal Structures of New Ivermectin Pseudopolymorphs
• Authors of publication: Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey
• Journal of publication: Crystals
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 172
• a: 14.8197 ± 0.0007 Å
• b: 9.1753 ± 0.0005 Å
• c: 39.094 ± 0.002 Å
• α: 90°
• β: 94.49 ± 0.005°
• γ: 90°
• Cell volume: 5299.5 ± 0.5 ų
• Cell temperature: 173 ± 0.2 K
• Ambient diffraction temperature: 173 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.2572
• Weighted residual factors for all reflections included in the refinement: 0.2584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No