Information card for entry 1542485

Structure parameters

• Chemical name: <i>cis</i>,<i>trans</i>,<i>cis</i>-1,2,3,4-Tetrakis[2-(ethylsulfanyl)phenyl]cyclobutane
• Formula: C36 H40 S4
• Calculated formula: C36 H40 S4
• SMILES: S(c1c(C2C(C(C2c2c(SCC)cccc2)c2c(SCC)cccc2)c2c(SCC)cccc2)cccc1)CC
• Title of publication: <i>cis</i>,<i>trans</i>,<i>cis</i>-1,2,3,4-Tetrakis[2-(ethylsulfanyl)phenyl]cyclobutane
• Authors of publication: Sohr, Barbara; Glöcklhofer, Florian; Stöger, Berthold; Weil, Matthias; Fröhlich, Johannes
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 1
• Pages of publication: x152426
• a: 11.2972 ± 0.0008 Å
• b: 13.0708 ± 0.001 Å
• c: 21.3833 ± 0.0017 Å
• α: 90°
• β: 98.4 ± 0.002°
• γ: 90°
• Cell volume: 3123.7 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 3.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes