Information card for entry 4513959

Structure parameters

• Formula: C24 H28 N4 O2 S
• Calculated formula: C24 H28 N4 O2 S
• SMILES: c1(/N=C2/N(CCS2)CCCC)n(c2ccc(cc2n1)C(=O)OC)CCc1ccccc1
• Title of publication: One-Pot Three-Component Synthesis of 2-Imino-1,3-Thiazolines on Soluble Ionic Liquid Support.
• Authors of publication: Chen, Chan-Yu; Barve, Indrajeet J.; Sun, Chung-Ming
• Journal of publication: ACS combinatorial science
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 638 - 643
• a: 14.8222 ± 0.0008 Å
• b: 13.9414 ± 0.0007 Å
• c: 11.4583 ± 0.0005 Å
• α: 90°
• β: 108.559 ± 0.002°
• γ: 90°
• Cell volume: 2244.64 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0599
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No