Information card for entry 7213345

Structure parameters

• Common name: 1,4-(bis 1,4-dithiafulven-6-yl)benzene cyclophane
• Formula: C28 H36 S6
• Calculated formula: C28 H36 S6
• Title of publication: Electrochemical oxidative coupling of 1,4-bis(1,4-dithiafulven-6-yl)benzene cyclophanes
• Authors of publication: Lorcy, Dominique; Guérin, David; Boubekeur, Kamal; Carlier, Roger; Hascoat, Philippe; Tallec, André; Robert, Albert
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 2719
• a: 10.51 ± 0.002 Å
• b: 13.225 ± 0.003 Å
• c: 22.293 ± 0.005 Å
• α: 88.29 ± 0.03°
• β: 89.88 ± 0.03°
• γ: 72.94 ± 0.03°
• Cell volume: 2960.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.143
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No