Information card for entry 7110662

Structure parameters

• Formula: C28 H26 S6
• Calculated formula: C28 H26 S6
• SMILES: S1C2SC(=C1SCCCCCCSC1=C(SC(S1)=C1c3ccccc3C=2c2ccccc12)C)C
• 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: 19.231 ± 0.002 Å
• b: 9.52 ± 0.001 Å
• c: 30.089 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5508.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1108
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No