Information card for entry 7243487

Structure parameters

• Common name: tris(gamma-cyclodextrin) tetrakis(valproic acid) clathrate hydrate
• Chemical name: tris(cyclooctylamylose) tetrakis(2-propylpentanoic acid) clathrate hydrate
• Formula: C176 H402 O177
• Calculated formula: C144 H216 O155.88
• Title of publication: Cyclodextrin complexes of the anticonvulsant agent valproic acid
• Authors of publication: Vicatos, A. I.; Caira, M. R.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 37
• Pages of publication: 6582 - 6590
• a: 23.745 ± 0.004 Å
• b: 23.745 ± 0.004 Å
• c: 23.1 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13024 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 90
• Hermann-Mauguin space group symbol: P 4 21 2
• Hall space group symbol: P 4ab 2ab
• Residual factor for all reflections: 0.1554
• Residual factor for significantly intense reflections: 0.1431
• Weighted residual factors for significantly intense reflections: 0.4024
• Weighted residual factors for all reflections included in the refinement: 0.4101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.73
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No