Information card for entry 7109062

Structure parameters

• Common name: PCH244
• Formula: C107 H118 Cd2 N6 O23
• Calculated formula: C107 H109 Cd2 N6 O23
• Title of publication: Directed assembly via selectively positioned host functionality
• Authors of publication: Piotr P. Cholewa; Christine M. Beavers; Simon J. Teat; Scott J. Dalgarno
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3203
• a: 19.2266 ± 0.001 Å
• b: 24.9668 ± 0.0014 Å
• c: 20.7082 ± 0.0012 Å
• α: 90°
• β: 98.402 ± 0.004°
• γ: 90°
• Cell volume: 9833.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.2121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No