Information card for entry 4339987

Structure parameters

• Formula: C8 H16 O14 Se4
• Calculated formula: C8 H16 O14 Se4
• SMILES: C1COCCO1.O1[Se](O[Se](=O)O[Se](O[Se]1=O)(=O)=O)(=O)=O.C1COCCO1
• Title of publication: Taming the Oxidative Power of SeO3 in 1,4-Dioxane, Isolation of Two New Isomers of Mixed-Valence Selenium Oxides, and Two Unprecedented Cyclic Esters of Selenic Acid.
• Authors of publication: Richtera, Lukas; Jancik, Vojtech; Martínez-Otero, Diego; Pokluda, Ales; Zak, Zdirad; Taraba, Jan; Touzin, Jiri
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6569 - 6577
• a: 8.38 ± 0.001 Å
• b: 8.981 ± 0.001 Å
• c: 12.025 ± 0.002 Å
• α: 90°
• β: 96.03 ± 0.01°
• γ: 90°
• Cell volume: 900 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No