Information card for entry 7116222

Structure parameters

• Chemical name: TVBox
• Formula: C138 H115 F96 N17 P16
• Calculated formula: C138 H115 F96 N17 P16
• Title of publication: Formation of ring-in-ring complexes between crown ethers and rigid TVBox(8+).
• Authors of publication: Sun, Junling; Frasconi, Marco; Liu, Zhichang; Barnes, Jonathan C.; Wang, Yuping; Chen, Dongyang; Stern, Charlotte L.; Fraser Stoddart, J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1432 - 1435
• a: 53.047 ± 0.003 Å
• b: 13.8933 ± 0.0007 Å
• c: 23.3837 ± 0.0011 Å
• α: 90°
• β: 107.888 ± 0.003°
• γ: 90°
• Cell volume: 16400.6 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.09 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No