Information card for entry 2003769

Structure parameters

• Formula: C10 H18 N4 O4 S3
• Calculated formula: C10 H18 N4 O4 S3
• SMILES: CS/C(=N\OC(=O)N(SN(C(=O)O/N=C(\SC)C)C)C)C
• Title of publication: Thiodicarb
• Authors of publication: Ammon, H. L.; Seymour, R. J.; Huffman, W. M.; D'Silva, T. D. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1619 - 1621
• a: 5.9355 ± 0.0006 Å
• b: 11.258 ± 0.001 Å
• c: 13.7293 ± 0.0007 Å
• α: 113.667 ± 0.006°
• β: 98.617 ± 0.007°
• γ: 91.947 ± 0.008°
• Cell volume: 826.27 ± 0.13 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for significantly intense reflections: 1.23
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No