Information card for entry 7114185

Structure parameters

• Formula: C101 H142 Cl10 F12 N2 O16 P2
• Calculated formula: C101 H142 Cl10 F12 N2 O16 P2
• Title of publication: An hermaphroditic [c2]daisy chain
• Authors of publication: Chiu, Sheng-Hsien; Rowan, Stuart J.; Cantrill, Stuart J.; Stoddart, J. Fraser; White, Andrew J. P.; Williams, David J.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 2948
• a: 14.447 ± 0.0013 Å
• b: 15.84 ± 0.003 Å
• c: 15.965 ± 0.002 Å
• α: 60.649 ± 0.01°
• β: 81.707 ± 0.01°
• γ: 65.076 ± 0.01°
• Cell volume: 2878.9 ± 0.8 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1174
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for all reflections: 0.2929
• Weighted residual factors for significantly intense reflections: 0.247
• Goodness-of-fit parameter for all reflections: 1.047
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No