Information card for entry 7104908

Structure parameters

• Formula: C102 H122 F12 N6 O24 P2
• Calculated formula: C102 H122 F12 N6 O24 P2
• Title of publication: Two guest complexation modes in a cyclotriveratrylene-based molecular container.
• Authors of publication: Li, Ming-Jhe; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 39
• Pages of publication: 5814 - 5816
• a: 24.443 ± 0.0006 Å
• b: 110.268 ± 0.003 Å
• c: 15.7305 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 42398 ± 1.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1689
• Residual factor for significantly intense reflections: 0.1111
• Weighted residual factors for significantly intense reflections: 0.2548
• Weighted residual factors for all reflections included in the refinement: 0.2722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.337
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No