Information card for entry 4504707

Structure parameters

• Common name: Ethylpyrogall[6]arene*12 DMSO Clathrate
• Chemical name: Ethylpyrogall[6]arene*12 DMSO Clathrate
• Formula: C13 H22 O5 S2
• Calculated formula: C13 H22 O5 S2
• Title of publication: Pseudopolymorphism of Ethylpyrogall[6]arene: Investigating the Role of Solvent in Guiding Self-Assembly of 3D Networks
• Authors of publication: Brown, Philip O.; Enright, Gary D.; Ripmeester, John A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 719
• a: 28.4485 ± 0.0015 Å
• b: 28.4485 ± 0.0015 Å
• c: 9.9871 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6999.9 ± 0.7 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No