Information card for entry 7109364

Structure parameters

• Formula: C60 H84 S6 Si4
• Calculated formula: C60 H84 S6 Si4
• SMILES: s1c2c3c4c1c(sc4c1sc(C#C[Si](C(C)C)(C(C)C)C(C)C)c4sc5c(sc(c5c14)c3sc2C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Antiaromatic planar cyclooctatetraene: a strategy for developing ambipolar semiconductors for field effect transistors
• Authors of publication: Tohru Nishinaga; Takeshi Ohmae; Kazunari Aita; Masayoshi Takase; Masahiko Iyoda; Tatsuya Arai; Yoshihito Kunugi
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 5354
• a: 14.7404 ± 0.0014 Å
• b: 15.015 ± 0.0015 Å
• c: 15.4645 ± 0.0015 Å
• α: 71.01 ± 0.002°
• β: 87.452 ± 0.002°
• γ: 74.597 ± 0.002°
• Cell volume: 3116.9 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No