Information card for entry 7159694

Structure parameters

• Chemical name: 1+DSDB24C8
• Formula: C44 H55 N2 O19 S2
• Calculated formula: C44 H55 N2 O19 S2
• Title of publication: Correlated translational motions in pseudo-rotaxane complexes controlled by a single chemical stimulus
• Authors of publication: Kotera, Naoko; Montellano, Pilar; Catalán, Aldo C.; Carrasco-Ruiz, Anayeli; Cervantes, Ruy; Tiburcio, Jorge
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 6
• Pages of publication: 1135 - 1140
• a: 10.6348 ± 0.0003 Å
• b: 14.9932 ± 0.0005 Å
• c: 15.9123 ± 0.0004 Å
• α: 83.694 ± 0.002°
• β: 73.596 ± 0.002°
• γ: 73.516 ± 0.002°
• Cell volume: 2332.68 ± 0.12 ų
• Cell temperature: 171 ± 2 K
• Ambient diffraction temperature: 171 ± 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: 0.1798
• Residual factor for significantly intense reflections: 0.1096
• Weighted residual factors for significantly intense reflections: 0.2926
• Weighted residual factors for all reflections included in the refinement: 0.3339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No