Information card for entry 7236454

Structure parameters

• Formula: C38 H44 N2 O2 S2
• Calculated formula: C38 H44 N2 O2 S2
• Title of publication: Adamantane substitutions: a path to high-performing, soluble, versatile and sustainable organic semiconducting materials
• Authors of publication: Kovalenko, Alexander; Yumusak, Cigdem; Heinrichova, Patricie; Stritesky, Stanislav; Fekete, Ladislav; Vala, Martin; Weiter, Martin; Sariciftci, Niyazi Serdar; Krajcovic, Jozef
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 19
• Pages of publication: 4716
• a: 6.4833 ± 0.0005 Å
• b: 7.3435 ± 0.0005 Å
• c: 32.625 ± 0.002 Å
• α: 90°
• β: 92.537 ± 0.003°
• γ: 90°
• Cell volume: 1551.76 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No