Information card for entry 4023463

Structure parameters

• Formula: C62 H92 O24 P2 S2 Se2
• Calculated formula: C62 H92 O24 P2 S2 Se2
• SMILES: [Se](P(=S)(OC[C@@H]1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC(C)(C)O3)OC(O2)(C)C)OC[C@@H]1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC(C)(C)O3)OC(O2)(C)C)[Se]P(=S)(OC[C@@H]1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC(C)(C)O3)OC(O2)(C)C)OC[C@@H]1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC(C)(C)O3)OC(O2)(C)C.Cc1ccccc1.Cc1ccccc1
• 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: 30.474 ± 0.006 Å
• b: 10.554 ± 0.002 Å
• c: 11.801 ± 0.002 Å
• α: 90°
• β: 94.31 ± 0.03°
• γ: 90°
• Cell volume: 3784.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No