Information card for entry 7104909

Structure parameters

• Formula: C100 H119 F12 N9 O24 P2
• Calculated formula: C100 H119 F12 N9 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: 15.2574 ± 0.0006 Å
• b: 15.6396 ± 0.0006 Å
• c: 24.9315 ± 0.0009 Å
• α: 98.26 ± 0.003°
• β: 93.741 ± 0.003°
• γ: 116.91 ± 0.004°
• Cell volume: 5192.4 ± 0.3 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1243
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.2086
• Weighted residual factors for all reflections included in the refinement: 0.2295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.318
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No