Information card for entry 7154566

Structure parameters

• Formula: C18 H10 N2 S6
• Calculated formula: C18 H10 N2 S6
• SMILES: C1(=S)N(C(=S)/C(S1)=C1\SC(=S)N(C1=S)c1ccccc1)c1ccccc1
• Title of publication: Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.
• Authors of publication: Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 31
• Pages of publication: 8479 - 8486
• a: 8.369 ± 0.003 Å
• b: 10.336 ± 0.002 Å
• c: 21.421 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1853 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No