Information card for entry 4510953

Structure parameters

• Formula: C10 H2 I2 O2 S2
• Calculated formula: C10 H2 I2 O2 S2
• SMILES: c1(cc2c(C(=O)c3cc(I)sc3C2=O)s1)I
• Title of publication: Novel semiconducting quinone for air-stable n-type organic field-effect transistors.
• Authors of publication: Mamada, Masashi; Kumaki, Daisuke; Nishida, Jun-ichi; Tokito, Shizuo; Yamashita, Yoshiro
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 1303 - 1307
• a: 4.1677 ± 0.0003 Å
• b: 6.6755 ± 0.0004 Å
• c: 21.1858 ± 0.0015 Å
• α: 90°
• β: 90.169 ± 0.002°
• γ: 90°
• Cell volume: 589.42 ± 0.07 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 5
• 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: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No