Information card for entry 2217916

Structure parameters

• Chemical name: 2-(Methylsulfanyl)cyclododecanone tosylhydrazone
• Formula: C20 H32 N2 O2 S2
• Calculated formula: C20 H32 N2 O2 S2
• SMILES: S(C1C(=N/NS(=O)(=O)c2ccc(cc2)C)/CCCCCCCCCC1)C
• Title of publication: 2-(Methylsulfanyl)cyclododecanone tosylhydrazone
• Authors of publication: Yan, Xiao-Jing; Liang, Xiao-Mei; Jin, Shu-Hui; Wang, Dao-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o657
• a: 8.4374 ± 0.0007 Å
• b: 11.5276 ± 0.001 Å
• c: 21.7836 ± 0.0019 Å
• α: 90°
• β: 92.53 ± 0.002°
• γ: 90°
• Cell volume: 2116.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes