Information card for entry 7115063

Structure parameters

• Formula: C50.5 H70.5 Cl N16 O0.5
• Calculated formula: C50.5 H71 Cl N16 O0.5
• Title of publication: The binding of difunctional neutral guest molecules by novel bis(tripyrrolyl) cryptands
• Authors of publication: Fox, O. Danny; Rolls, Toby D.; Beer, Paul D.; Drew, Michael G. B.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 17
• Pages of publication: 1632
• a: 10.955 ± 0.012 Å
• b: 14.307 ± 0.017 Å
• c: 17.45 ± 0.02 Å
• α: 100.846 ± 0.01°
• β: 99.17 ± 0.01°
• γ: 91.799 ± 0.01°
• Cell volume: 2646 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1938
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2223
• Weighted residual factors for all reflections included in the refinement: 0.2686
• 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: No
• Has Fobs: No