Information card for entry 4102503

Structure parameters

• Formula: C40 H46 O2 S4
• Calculated formula: C40 H46 O2 S4
• Title of publication: Conjugated Polymers That Respond to Oxidation with Increased Emission
• Authors of publication: Eric L. Dane; Sarah B. King; Timothy M. Swager
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 7758 - 7768
• a: 16.193 ± 0.002 Å
• b: 18.918 ± 0.003 Å
• c: 24.58 ± 0.003 Å
• α: 90°
• β: 90.428 ± 0.002°
• γ: 90°
• Cell volume: 7529.6 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No