Information card for entry 7109061

Structure parameters

• Common name: PCH163
• Formula: C56 H62 Cd N4 O11
• Calculated formula: C53 H53 Cd N3 O10
• 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: 10.9671 ± 0.0005 Å
• b: 14.2215 ± 0.0006 Å
• c: 18.5034 ± 0.0008 Å
• α: 110.695 ± 0.002°
• β: 90.387 ± 0.002°
• γ: 106.035 ± 0.002°
• Cell volume: 2577.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0899
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.275
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No