Information card for entry 7115468

Structure parameters

• Common name: cage3R
• Formula: C72 H84 N27
• Calculated formula: C72 H84 N27
• Title of publication: Guest control of structure in porous organic cages
• Authors of publication: Marc A. Little; Samantha Y. Chong; Marc Schmidtmann; Tom Hasell; Andrew I. Cooper
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 9465
• a: 25.2558 ± 0.0011 Å
• b: 25.2558 ± 0.0011 Å
• c: 11.0068 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6080.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No