Information card for entry 7110663

Structure parameters

• Formula: C27 H24 S6
• Calculated formula: C27 H24 S6.0036
• Title of publication: The first bridged 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene derivatives: strained redox-active cyclophanes
• Authors of publication: Finn, Terry; Bryce, Martin R.; Batsanov, Andrei S.; Howard, Judith A. K.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 18
• Pages of publication: 1835
• a: 10.944 ± 0.004 Å
• b: 14.591 ± 0.005 Å
• c: 16.924 ± 0.007 Å
• α: 71.18 ± 0.01°
• β: 89.65 ± 0.02°
• γ: 85.66 ± 0.01°
• Cell volume: 2550.2 ± 1.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1028
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No