Information card for entry 1553656

Structure parameters

• Formula: C73.1 H89.96 Cl1.55 N12 O1.89
• Calculated formula: C73.095 H87.765 Cl1.551 N12 O1.893
• Title of publication: A solution-processable dissymmetric porous organic cage
• Authors of publication: Slater, A. G.; Little, M. A.; Briggs, M. E.; Jelfs, K. E.; Cooper, A. I.
• Journal of publication: Molecular Systems Design & Engineering
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 1
• Pages of publication: 223
• a: 24.483 ± 0.0011 Å
• b: 24.483 ± 0.0011 Å
• c: 19.6123 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10181 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No