Information card for entry 7116431

Structure parameters

• Formula: C58 H61 N10 O19.5 S4
• Calculated formula: C58 H46 N10 O19.5 S4
• Title of publication: Aromatic sulfonate anion-induced pseudorotaxanes: environmentally benign synthesis, selectivity, and structural characterization
• Authors of publication: Han-Yuan Gong; Feng Tang; Brett M. Rambo; Rui Cao; Jun-Feng Xiang; Jonathan L. Sessler
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 1795
• a: 12.2027 ± 0.0015 Å
• b: 13.5862 ± 0.0016 Å
• c: 19.851 ± 0.002 Å
• α: 72.658 ± 0.003°
• β: 78.079 ± 0.003°
• γ: 72.902 ± 0.003°
• Cell volume: 2977 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1738
• Residual factor for significantly intense reflections: 0.0952
• Weighted residual factors for significantly intense reflections: 0.1967
• Weighted residual factors for all reflections included in the refinement: 0.2351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No