Information card for entry 1550997

Structure parameters

• Formula: C34 H42 S4
• Calculated formula: C34 H42 S4
• Title of publication: β-Strand Inspired Bifacial π-Conjugated Polymers
• Authors of publication: Chaudhuri, Saikat; Mohanan, Manikandan; Willems, Andreas V.; Bertke, Jeffery A.; Gavvalapalli , Nagarjuna
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 21.3616 ± 0.0017 Å
• b: 9.0556 ± 0.0007 Å
• c: 15.3872 ± 0.0012 Å
• α: 90°
• β: 94.439 ± 0.003°
• γ: 90°
• Cell volume: 2967.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No