Information card for entry 4110605

Structure parameters

• Formula: C26 H22 S
• Calculated formula: C26 H22 S
• Title of publication: Isolation and Molecular Structure of the Organo-persulfuranes [12-S-6(C6)]
• Authors of publication: Soichi Sato; Kaoru Matsunaga; Ernst Horn; Naomichi Furukawa; Tatsuya Nabeshima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 6778 - 6779
• a: 16.299 ± 0.006 Å
• b: 7.285 ± 0.002 Å
• c: 16.445 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1952.6 ± 1.1 ų
• Cell temperature: 253.2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.0361
• Goodness-of-fit parameter for all reflections included in the refinement: 2.405
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No