Information card for entry 2215871

Structure parameters

• Chemical name: 2,4,5,7,9,10-Hexathia-1,3,6,8(1,4)-tetrabenzenacyclodecaphane
• Formula: C24 H16 S6
• Calculated formula: C24 H16 S6
• SMILES: S1c2ccc(SSc3ccc(Sc4ccc(SSc5ccc1cc5)cc4)cc3)cc2
• Title of publication: 2,4,5,7,9,10-Hexathia-1,3,6,8(1,4)-tetrabenzenacyclodecaphane
• Authors of publication: Zhifo Guo; Rufen Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4465 - o4465
• a: 14.63 ± 0.0015 Å
• b: 25.025 ± 0.003 Å
• c: 5.9754 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2187.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes