Information card for entry 4023466

Structure parameters

• Formula: C52.2 H86.87 O25.4 P2 S2.77 Se1.23
• Calculated formula: C52.206 H87.216 O25.402 P2 S2.769 Se1.231
• Title of publication: Synthesis and Solid-State Study of Supramolecular Host-Guest Assemblies: Bis[6-O,6-O'-(1,2:3,4-diisopropylidene-α-D- galactopyranosyl)thiophosphoryl] Dichalcogenides
• Authors of publication: Marek J. Potrzebowski; Wojciech M. Potrzebowski; Agata Jeziorna; Wlodzimierz Ciesielski; Jarosław Gajda; Grzegorz D. Bujacz; Maksymilian Chruszcz; Wladek Minor
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 4388 - 4397
• a: 11.745 ± 0.001 Å
• b: 11.745 ± 0.001 Å
• c: 42.937 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5129.4 ų
• Cell temperature: 103 ± 1 K
• Ambient diffraction temperature: 103 ± 1 K
• Number of distinct elements: 6
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Method of determination: single crystal
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No