Information card for entry 2233442

Structure parameters

• Chemical name: [(4<i>S</i>,5<i>S</i>)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis[<i>N</i>- (thiophen-2-ylmethylidene)methanamine]
• Formula: C17 H20 N2 O2 S2
• Calculated formula: C17 H20 N2 O2 S2
• SMILES: s1c(/C=N/C[C@@H]2OC(O[C@H]2C/N=C/c2sccc2)(C)C)ccc1
• Title of publication: [(4<i>S</i>,5<i>S</i>)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis[<i>N</i>-(thiophen-2-ylmethylidene)methanamine]
• Authors of publication: Jiang, Yan; Bian, Jing; Sun, Xiaoqiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o430
• a: 10.475 ± 0.002 Å
• b: 7.4792 ± 0.0015 Å
• c: 11.533 ± 0.002 Å
• α: 90°
• β: 92.339 ± 0.004°
• γ: 90°
• Cell volume: 902.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes