Information card for entry 7239549

Structure parameters

• Formula: C32 H44 N2 O6
• Calculated formula: C32 H44 N2 O6
• Title of publication: Unambiguous determination of molecular packing in crystalline donor domains of small molecule solution processed solar cell devices using routine X-ray diffraction techniques
• Authors of publication: Viterisi, Aurélien; Montcada, Núria F.; Kumar, Challuri Vijay; Gispert-Guirado, Francesc; Martin, Eddy; Escudero, Eduardo; Palomares, Emilio
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 3536
• a: 15.0473 ± 0.0008 Å
• b: 18.1959 ± 0.001 Å
• c: 10.7775 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2950.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No