Information card for entry 7229629

Structure parameters

• Common name: 2
• Chemical name: (E)-2-(5-(2-(thiophen-2-yl)vinyl)-thiophen-2-yl)-ethene-1,1,2-tricarbonitrile
• Formula: C15 H7 N3 S2
• Calculated formula: C15 H7 N3 S2
• SMILES: s1c(ccc1/C=C/c1sccc1)C(=C(C#N)C#N)C#N
• Title of publication: The impact of vinylene bridges and side chain alkyl groups on the solid state structures of tricyanovinyl-substituted thiophenes
• Authors of publication: Pham, Phuong-Truc T.; Young, Victor G.; Bader, Mamoun M.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 1
• Pages of publication: 128
• a: 5.56 ± 0.005 Å
• b: 14.516 ± 0.013 Å
• c: 16.611 ± 0.015 Å
• α: 90°
• β: 93.872 ± 0.016°
• γ: 90°
• Cell volume: 1338 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No