Information card for entry 4510881

Structure parameters

• Formula: C203 H195 Cl6
• Calculated formula: C200 H196
• Title of publication: Morphology Change and Improved Efficiency in Organic Photovoltaics via Hexa-peri-hexabenzocoronene Templates.
• Authors of publication: Dam, Henk H.; Sun, Kuan; Hanssen, Eric; White, Jonathan M.; Marszalek, Tomasz; Pisula, Wojciech; Czolk, Jens; Ludwig, Jens; Colsmann, Alexander; Pfaff, Marina; Gerthsen, Dagmar; Wong, Wallace W. H.; Jones, David J.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2014
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 8824 - 8835
• a: 17.2331 ± 0.0008 Å
• b: 17.2446 ± 0.0007 Å
• c: 27.9818 ± 0.0014 Å
• α: 92.121 ± 0.004°
• β: 91.996 ± 0.004°
• γ: 112.639 ± 0.004°
• Cell volume: 7658.7 ± 0.6 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1983
• Residual factor for significantly intense reflections: 0.128
• Weighted residual factors for significantly intense reflections: 0.337
• Weighted residual factors for all reflections included in the refinement: 0.3971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No