Information card for entry 7154571

Structure parameters

• Formula: C6 H5 N O2 S3
• Calculated formula: C6 H5 N O2 S3
• SMILES: S1C2N(CC)C(=O)SC=2SC1=O
• 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: 8.5086 ± 0.0016 Å
• b: 9.106 ± 0.003 Å
• c: 11.589 ± 0.002 Å
• α: 90°
• β: 110.442 ± 0.008°
• γ: 90°
• Cell volume: 841.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0384
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No