Information card for entry 2006171

Structure parameters

• Common name: meso-3,3'-bi(1,2,4-trithiacyclohex-5-enyl)
• Formula: C6 H6 S6
• Calculated formula: C6 H6 S6
• SMILES: C1=CS[C@@H](SS1)[C@H]1SSC=CS1
• Title of publication: <i>meso</i>-3,3'-Bi(1,2,4-trithiacyclohex-5-enyl)
• Authors of publication: Shimizu, Toshio; Iwata, Kazuko; Kondo, Mitsuru; Kitagawa, Susumu; Kamigata, Nobumasa
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 748 - 749
• a: 8.111 ± 0.002 Å
• b: 6.146 ± 0.001 Å
• c: 10.242 ± 0.001 Å
• α: 90°
• β: 103.19 ± 0.01°
• γ: 90°
• Cell volume: 497.1 ± 0.16 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0345
• Goodness-of-fit parameter for significantly intense reflections: 3.901
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No