Information card for entry 2211977

Structure parameters

• Chemical name: Cyclohexyl 2-(piperidin-1-ylthiocarbonylsulfanyl)acetate
• Formula: C14 H23 N O2 S2
• Calculated formula: C14 H23 N O2 S2
• SMILES: S(C(=S)N1CCCCC1)CC(=O)OC1CCCCC1
• Title of publication: Cyclohexyl 2-(piperidin-1-ylthiocarbonylsulfanyl)acetate
• Authors of publication: Cao, Hua; Zhao, Hong-Bin; Liu, Yan-Li; Zhou, Fu-Hui; Liu, Jie-Pin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o200 - o201
• a: 6.3643 ± 0.0001 Å
• b: 9.4441 ± 0.0002 Å
• c: 14.0709 ± 0.0005 Å
• α: 102.332 ± 0.002°
• β: 96.38 ± 0.002°
• γ: 107.483 ± 0.002°
• Cell volume: 773.98 ± 0.04 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes