Information card for entry 1564148

Structure parameters

• Formula: C98.1 H152.2 O28.5
• Calculated formula: C98.1 H147.2 O28.5
• 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: 16.7309 ± 0.0001 Å
• b: 24.5805 ± 0.0002 Å
• c: 24.5797 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10108.5 ± 0.13 ų
• Cell temperature: 160 ± 0.2 K
• Ambient diffraction temperature: 160 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.2745
• Weighted residual factors for all reflections included in the refinement: 0.2815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No