Information card for entry 1503486

Structure parameters

• Formula: C54 H66 S2 Si2
• Calculated formula: C54 H66 S2 Si2
• Title of publication: Synthesis and properties of isomerically pure anthrabisbenzothiophenes.
• Authors of publication: Lehnherr, Dan; Hallani, Rawad; McDonald, Robert; Anthony, John E.; Tykwinski, Rik R.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 62 - 65
• a: 11.1453 ± 0.0011 Å
• b: 16.4944 ± 0.0016 Å
• c: 26.181 ± 0.003 Å
• α: 88.4584 ± 0.0013°
• β: 85.4059 ± 0.0014°
• γ: 89.7663 ± 0.0013°
• Cell volume: 4795.8 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No