Information card for entry 7115189

Structure parameters

• Formula: C28 H33 B F4 S2
• Calculated formula: C28 H33 B F4 S2
• Title of publication: Synthesis, structure and redox reactions of a new crowded benzodithiolium salt: first isolation and characterization of a stable dithiolyl radical with a 7π electron framework
• Authors of publication: Ogawa, Satoshi; Kikuchi, Mieko; Sato, Ryu; Kawai, Yasushi; Niizuma, Shigeya
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 18
• Pages of publication: 1891
• a: 26.387 ± 0.008 Å
• b: 13.177 ± 0.007 Å
• c: 19.851 ± 0.007 Å
• α: 90°
• β: 122.91 ± 0.02°
• γ: 90°
• Cell volume: 5795 ± 4 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.1049
• Weighted residual factors for significantly intense reflections: 0.1514
• Goodness-of-fit parameter for significantly intense reflections: 1.225
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No