Information card for entry 7111357

Structure parameters

• Formula: C26 H14 S6
• Calculated formula: C26 H14 S6
• Title of publication: Mono- and bis(tetrathiafulvaleno)hexadehydro[12]annulenesElectronic supplementary information (ESI) available: cyclic voltammograms of the annulenes 1 and 2. See http://www.rsc.org/suppdata/cc/b4/b407200f/
• Authors of publication: Hara, Kenji; Hasegawa, Masashi; Kuwatani, Yoshiyuki; Enozawa, Hideo; Iyoda, Masahiko
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 18
• Pages of publication: 2042 - 2043
• a: 14.262 ± 0.002 Å
• b: 7.965 ± 0.004 Å
• c: 20.16 ± 0.003 Å
• α: 90°
• β: 94.64 ± 0.01°
• γ: 90°
• Cell volume: 2282.6 ± 1.2 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No