Information card for entry 2200388

Structure parameters

• Formula: C45 H64 Cl2 F N5
• Calculated formula: C45 H64 Cl2 F N5
• Title of publication: Tetrabutylammonium <i>meso</i>-octamethylcalix[4]pyrrole fluoride dichloromethane solvate
• Authors of publication: Camiolo, Salvatore; Coles, Simon J.; Gale, Philip A.; Hursthouse, Michael B.; Sessler, Jonathan L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: o816 - o818
• a: 19.846 ± 0.004 Å
• b: 10.653 ± 0.002 Å
• c: 10.469 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2213.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes