Information card for entry 8101345

Structure parameters

• Common name: S-[4-(2,6-Dimethylphenylselenide)-3,5-dimethyl-phenyl]-dibenzothiophenium bis(triflate) hydrate'
• Formula: C21 H18.78 F3 O4.39 S2 Se0.5
• Calculated formula: C42 H32 F6 O8.78 S4 Se0.5
• Title of publication: Crystal structure of S-[4-(2,6-dimethylphenylselenide)-3,5-dimethyl- phenyl]-dibenzothiophenium bis(triflate) hydrate, [C~20~H~16~SSe~0.5~] ~2~ · (CF~3~O~3~S)~2~ · 2.78H~2~O
• Authors of publication: Horn, E.; Zhang, S.-Z.; Nakahodo, T.; Sato, Soichi; Furukawa, Naomichi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 4
• Pages of publication: 555 - 556
• a: 21.993 ± 0.005 Å
• b: 13.639 ± 0.004 Å
• c: 16.042 ± 0.005 Å
• α: 90°
• β: 107.95 ± 0.02°
• γ: 90°
• Cell volume: 4577 ± 2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• 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: 0.0663
• Weighted residual factors for significantly intense reflections: 0.0719
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No