Information card for entry 7151476

Structure parameters

• Common name: Wood
• Formula: C2 K N O2 S2
• Calculated formula: C2 K N O2 S2
• SMILES: [K+].S1SC(=O)N=C1[O-]
• Title of publication: Synthetic and structural studies on 1,2,4-dithiazolidine-3,5-dione derivatives
• Authors of publication: Wood, Mark E.; Cane-Honeysett, Daniel J.; Dowle, Michael D.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 17
• Pages of publication: 3015
• a: 7.3952 ± 0.0004 Å
• b: 22.4561 ± 0.0011 Å
• c: 13.7894 ± 0.0009 Å
• α: 90°
• β: 106.786 ± 0.004°
• γ: 90°
• Cell volume: 2192.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0952
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No