Information card for entry 4115945

Structure parameters

• Formula: C16 H14 O4 S2
• Calculated formula: C16 H14 O4 S2
• Title of publication: An Unusual Planar Diacyl Ditelluride (2-MeOC6H4COTe)2: The Origin of Its Planarity
• Authors of publication: Osamu Niyomura; Shinzi Kato; Satoshi Inagaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 2132 - 2133
• a: 21.786 ± 0.004 Å
• b: 15.756 ± 0.002 Å
• c: 8.818 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3026.9 ± 1.2 ų
• Cell temperature: 193.2 K
• Ambient diffraction temperature: 193.2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No