Information card for entry 7114121

Structure parameters

• Common name: TRIMER
• Chemical name: 1,1,3,3,5,5-meso-hexamethyl-2,2,4,4,6,6-meso-hexaphenyl-calix[6]pyrrole
• Formula: C27.67 H28 Cl0.67 N2 O
• Calculated formula: C27.6667 H28 Cl0.663333 N2 O
• Title of publication: Self-assembled calix[6]pyrrole capsules: solid-state encapsulation of different guests in preorganized calix[6]pyrrole capsules
• Authors of publication: Turner, Boaz; Shterenberg, Alexander; Kapon, Moshe; Botoshansky, Mark; Suwinska, Kinga; Eichen, Yoav
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 726
• a: 23.75 ± 0.03 Å
• b: 23.75 ± 0.03 Å
• c: 24.2 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11822 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2152
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections: 0.2402
• Weighted residual factors for significantly intense reflections: 0.1807
• Goodness-of-fit parameter for all reflections: 1.089
• Goodness-of-fit parameter for significantly intense reflections: 1.357
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No