Information card for entry 4106953

Structure parameters

• Formula: C120 H96 N17
• Calculated formula: C120 H96 N17
• Title of publication: Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages
• Authors of publication: Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 16566 - 16571
• a: 29.175 ± 0.008 Å
• b: 29.175 ± 0.008 Å
• c: 10.882 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8022 ± 4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.6889 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No