Information card for entry 7014322

Structure parameters

• Formula: C76 H84 F6 N2 O22
• Calculated formula: C76 H84 F6 N2 O22
• Title of publication: Controlling the rotation of a complexed guest within a molecular cage.
• Authors of publication: Yen, Ming-Liang; Chen, Nai-Chia; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 2163 - 2166
• a: 12.3239 ± 0.0018 Å
• b: 13.3177 ± 0.0018 Å
• c: 13.939 ± 0.002 Å
• α: 106.705 ± 0.012°
• β: 96.177 ± 0.012°
• γ: 93.527 ± 0.012°
• Cell volume: 2168.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1357
• Residual factor for significantly intense reflections: 0.129
• Weighted residual factors for significantly intense reflections: 0.3204
• Weighted residual factors for all reflections included in the refinement: 0.3262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No