Information card for entry 7154567

Structure parameters

• Formula: C10 H10 N2 O2 S4
• Calculated formula: C10 H10 N2 O2 S4
• SMILES: C1(=O)N(CC)C(=S)/C(S1)=C1\SC(=O)N(CC)C1=S
• 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: 6.8237 ± 0.0005 Å
• b: 8.5474 ± 0.0007 Å
• c: 22.3448 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1303.26 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No