Information card for entry 7114349

Structure parameters

• Common name: Calix[4]pyrrole trifluoroacetate
• Formula: C38 H58 F3 N5 O3
• Calculated formula: C38 H58 F3 N5 O3
• Title of publication: The role of template in the synthesis of meso-hexamethyl- meso-hexaphenyl-calix[6]pyrrole: trihalogenated compounds as templates for the assembly of a host with a trigonal cavityElectronic supplementary data (ESI) available: Figs. 1 and 2 showing atom numbering. See http://www.rsc.org/suppdata/cc/b1/b106162n/
• Authors of publication: Turner, Boaz; Shterenberg, Alexander; Kapon, Moshe; Suwinska, Kinga; Eichen, Yoav
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 5
• Pages of publication: 404
• a: 12.6 ± 0.0004 Å
• b: 16.723 ± 0.0007 Å
• c: 10.635 ± 0.0004 Å
• α: 90°
• β: 120.276 ± 0.002°
• γ: 90°
• Cell volume: 1935.26 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No