Information card for entry 7201871

Structure parameters

• Common name: 4,5-ethylnenedioxy-4'methyltetrathiafulvalene
• Chemical name: 4,5-ethylnenedioxy-4'methyltetrathiafulvalene
• Formula: C9 H8 O2 S4
• Calculated formula: C9 H8 O2 S4
• SMILES: S1C(SC=C1C)=C1SC2=C(S1)OCCO2
• Title of publication: Formation of two-dimensional metals by weak intermolecular interactions based on the asymmetric EDO-TTF derivatives
• Authors of publication: Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Dubrovskiy, Alexander D.; Otsuka, Akihiro; Murata, Tsuyoshi; Yoshida, Yukihiro; Saito, Gunzi; Koshihara, Shin-ya
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2008
• Journal volume: 18
• Journal issue: 18
• Pages of publication: 2131
• a: 27.474 ± 0.006 Å
• b: 11.463 ± 0.003 Å
• c: 7.459 ± 0.0014 Å
• α: 90°
• β: 96.485 ± 0.016°
• γ: 90°
• Cell volume: 2334.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No