Information card for entry 7154565

Structure parameters

• Formula: C14 H18 N2 S6
• Calculated formula: C14 H18 N2 S6
• SMILES: C1(/SC(=S)N(C1=S)CCCC)=C1\SC(=S)N(C1=S)CCCC
• 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: 4.4366 ± 0.0004 Å
• b: 7.095 ± 0.0007 Å
• c: 14.0927 ± 0.0014 Å
• α: 91.198 ± 0.003°
• β: 95.948 ± 0.002°
• γ: 97.185 ± 0.002°
• Cell volume: 437.49 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.269
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No