Information card for entry 7115471

Structure parameters

• Formula: C66 H72 N12
• Calculated formula: C66 H72 N12
• 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: 24.242 ± 0.009 Å
• b: 24.242 ± 0.009 Å
• c: 24.242 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14246 ± 9 ų
• Cell temperature: 350 K
• Ambient diffraction temperature: 350 K
• Number of distinct elements: 3
• Space group number: 210
• Hermann-Mauguin space group symbol: F 41 3 2
• Hall space group symbol: F 4d 2 3
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.1146
• Weighted residual factors for significantly intense reflections: 0.2692
• Weighted residual factors for all reflections included in the refinement: 0.2904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.338
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No