Information card for entry 7124540

Structure parameters

• Formula: C16 H18 O2 S2
• Calculated formula: C16 H18 O2 S2
• Title of publication: A Radical Exchange Process: Synthesis of Bicyclo [1.1.1]pentane Derivatives of Xanthates
• Authors of publication: Riant, Olivier; Rout, Saroj Kumar; Marghem, Gilles; Lan, Junji; Leyssens, Tom
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 5.43658 ± 0.00014 Å
• b: 5.70292 ± 0.00017 Å
• c: 25.123 ± 0.0006 Å
• α: 90°
• β: 93.371 ± 0.002°
• γ: 90°
• Cell volume: 777.58 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No