Information card for entry 4129911

Structure parameters

• Formula: C144 H174 F15.01 N24 O3 S2.5
• Calculated formula: C144 H168 F15.012 N24 O3 S2.502
• Title of publication: Porous Organic Cages for Sulfur Hexafluoride Separation.
• Authors of publication: Hasell, Tom; Miklitz, Marcin; Stephenson, Andrew; Little, Marc A.; Chong, Samantha Y.; Clowes, Rob; Chen, Linjiang; Holden, Daniel; Tribello, Gareth A.; Jelfs, Kim E.; Cooper, Andrew I.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 5
• Pages of publication: 1653 - 1659
• a: 17.385 ± 0.005 Å
• b: 17.425 ± 0.006 Å
• c: 17.479 ± 0.006 Å
• α: 60.384 ± 0.003°
• β: 60.308 ± 0.003°
• γ: 60.168 ± 0.003°
• Cell volume: 3768 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2378
• Weighted residual factors for all reflections included in the refinement: 0.2549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No