Information card for entry 1565763

Structure parameters

• Formula: C18 H19 N O S2
• Calculated formula: C18 H19 N O S2
• SMILES: S1C(=S)O[C@@H](CN(Cc2ccccc2)Cc2ccccc2)C1
• Title of publication: Cationic ring-opening polymerization of a five membered cyclic dithiocarbonate having a tertiary amine moiety
• Authors of publication: Krishnamurthy, Suvratha; Yoshida, Yoshiaki; Endo, Takeshi
• Journal of publication: Polymer Chemistry
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 267 - 274
• a: 8.4425 ± 0.0004 Å
• b: 10.2492 ± 0.0003 Å
• c: 19.6013 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1696.08 ± 0.12 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No