Information card for entry 7156018

Structure parameters

• Formula: C22 H28 N O5 P S
• Calculated formula: C22 H28 N O5 P S
• SMILES: S(=O)(=O)(NC(=C(P1(=O)OCC(CO1)(C)C)\c1ccc(cc1)C)\C)c1ccc(cc1)C
• Title of publication: Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.
• Authors of publication: Anitha, Mandala; Swamy, K. C. Kumara
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 402 - 413
• a: 15.4813 ± 0.0007 Å
• b: 13.2156 ± 0.0006 Å
• c: 11.737 ± 0.0004 Å
• α: 90°
• β: 98.003 ± 0.001°
• γ: 90°
• Cell volume: 2377.94 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0757
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No