Information card for entry 7124758

Structure parameters

• Formula: C106 H56 N6 O2
• Calculated formula: C106 H56 N6 O2
• Title of publication: Endohedrally functionalised porous organic cages.
• Authors of publication: Burgun, Alexandre; Valente, Peter; Evans, Jack D.; Huang, David M.; Sumby, Christopher J.; Doonan, Christian J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 57
• Pages of publication: 8850 - 8853
• a: 16.792 ± 0.003 Å
• b: 19.978 ± 0.004 Å
• c: 23.171 ± 0.005 Å
• α: 102.93 ± 0.03°
• β: 101.11 ± 0.03°
• γ: 112.55 ± 0.03°
• Cell volume: 6654 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1527
• Residual factor for significantly intense reflections: 0.1241
• Weighted residual factors for significantly intense reflections: 0.3369
• Weighted residual factors for all reflections included in the refinement: 0.3559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.328
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No