Information card for entry 7102426

Structure parameters

• Formula: C112.5 H126 N8 O6.5
• Calculated formula: C112.5 H126 N8 O6.5
• Title of publication: Inherent helicity in an extended tris-bipyridyl molecular cage.
• Authors of publication: Perkins, David F; Lindoy, Leonard F; Meehan, George V; Turner, Peter
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 2
• Pages of publication: 152 - 153
• a: 15.555 ± 0.004 Å
• b: 16.622 ± 0.002 Å
• c: 23.495 ± 0.006 Å
• α: 71.105 ± 0.011°
• β: 78.998 ± 0.008°
• γ: 70.89 ± 0.011°
• Cell volume: 5406 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1905
• Residual factor for significantly intense reflections: 0.1613
• Weighted residual factors for significantly intense reflections: 0.4067
• Weighted residual factors for all reflections included in the refinement: 0.4376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.56356 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No