Information card for entry 4322474

Structure parameters

• Formula: C10 H18 O S4
• Calculated formula: C10 H18 O S4
• SMILES: S1[C@@H]2CSCCSCCSC[C@H]1COC2
• Title of publication: A Structural Strategy for Generating Rapid Electron-Transfer Kinetics in Copper(II/I) Systems
• Authors of publication: Ksenia Krylova; Chandrika P. Kulatilleke; Mary Jane Heeg; Cynthia A. Salhi; L. A. Ochrymowycz; D. B. Rorabacher
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4322 - 4328
• a: 15.211 ± 0.002 Å
• b: 8.5113 ± 0.0009 Å
• c: 20.548 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2660.3 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections: 0.1435
• Weighted residual factors for significantly intense reflections: 0.1297
• Goodness-of-fit parameter for all reflections: 0.932
• Goodness-of-fit parameter for significantly intense reflections: 0.969
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No