Information card for entry 1513560

Structure parameters

• Common name: TIPSNDT3Q
• Chemical name: TIPSNDT3Q
• Formula: C38 H46 N4 S2 Si2
• Calculated formula: C38 H46 N4 S2 Si2
• SMILES: s1c2c(cc1[Si](C(C)C)(C(C)C)C(C)C)C(C=C1C2=CC(c2c1sc([Si](C(C)C)(C(C)C)C(C)C)c2)=C(C#N)C#N)=C(C#N)C#N
• Title of publication: Dithiophene-Fused Tetracyanonaphthoquinodimethanes (DT-TNAPs): synthesis and characterization of π-extended quinoidal compounds for n-channel organic semiconductor.
• Authors of publication: Yanai, Naoyuki; Mori, Takamichi; Shinamura, Shoji; Osaka, Itaru; Takimiya, Kazuo
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 240 - 243
• a: 10.6749 ± 0.0013 Å
• b: 15.0601 ± 0.0014 Å
• c: 12.3997 ± 0.0014 Å
• α: 90 ± 0.0011°
• β: 108.478 ± 0.0013°
• γ: 90 ± 0.0011°
• Cell volume: 1890.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No