Information card for entry 1564990

Structure parameters

• Formula: C114 H132 O30 S6
• Calculated formula: C114 H132 O30 S6
• Title of publication: Noria and its derivatives as hosts for chemically and thermally robust Type II Porous Liquids
• Authors of publication: Alexander, Francesca M.; Fonrouge, Sergio; Borioni, Jose Luis; Del Popolo, Mario G.; Horton, Peter; Coles, Simon; Hutchings, Benjamin; Crawford, Deborah E.; James, Stuart
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 19.5728 ± 0.0005 Å
• b: 22.2124 ± 0.0007 Å
• c: 22.5739 ± 0.0006 Å
• α: 117.141 ± 0.003°
• β: 115.302 ± 0.003°
• γ: 90.835 ± 0.002°
• Cell volume: 7623.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1228
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2586
• Weighted residual factors for all reflections included in the refinement: 0.2796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No