Information card for entry 7201783

Structure parameters

• Formula: C199 H224 N8 O16
• Calculated formula: C198.99 H222.9 N8 O15.96
• Title of publication: Guest-induced topological polymorphism of pseudo-cubic hydrogen bond networks—robust and adaptable supramolecular synthon
• Authors of publication: Yuge, Tetsuharu; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 263
• a: 20.7677 ± 0.0006 Å
• b: 20.7677 ± 0.0006 Å
• c: 70.979 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 26511.7 ± 1.3 ų
• Cell temperature: 213.1 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.3228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.9
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No