Information card for entry 7125586

Structure parameters

• Formula: C38 H50 N2 O4 S
• Calculated formula: C38 H50 N2 O4 S
• Title of publication: Improving the compatibility of fullerene acceptors with fluorene-containing donor-polymers in organic photovoltaic devices.
• Authors of publication: Kuhlmann, Jan-Carlos; de Bruyn, Paul; Bouwer, Ricardo K. M.; Meetsma, Auke; Blom, Paul W. M.; Hummelen, Jan C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 38
• Pages of publication: 7232 - 7234
• a: 11.464 ± 0.003 Å
• b: 12.033 ± 0.003 Å
• c: 14.111 ± 0.004 Å
• α: 83.464 ± 0.004°
• β: 81.891 ± 0.004°
• γ: 69.071 ± 0.003°
• Cell volume: 1795.7 ± 0.8 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No