Information card for entry 2241285

Structure parameters

• Chemical name: 9,10-Bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene
• Formula: C20 H12 S4
• Calculated formula: C20 H12 S4
• SMILES: S1C=CSC1=C1c2ccccc2C(c2ccccc12)=C1SC=CS1
• Title of publication: Crystal structure of 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene
• Authors of publication: Ren, Yi; Lee, Semin; Bertke, Jeffery A.; Moore, Jeffrey S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: 1475 - 1479
• a: 11.2759 ± 0.0003 Å
• b: 7.6073 ± 0.0002 Å
• c: 19.5596 ± 0.0005 Å
• α: 90°
• β: 97.313 ± 0.001°
• γ: 90°
• Cell volume: 1664.16 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0295
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes