Information card for entry 1512265

Structure parameters

• Formula: C30 H34 N2 O2 S2
• Calculated formula: C30 H12 N2 O2 S2
• Title of publication: Dithienylbenzodipyrrolidone: New Acceptor for Donor‒Acceptor Low Band Gap Polymers
• Authors of publication: Cui, Weibin; Wudl, Fred
• Journal of publication: Macromolecules
• Year of publication: 2013
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 7232
• a: 5.5147 ± 0.0011 Å
• b: 9.2059 ± 0.0019 Å
• c: 14.389 ± 0.003 Å
• α: 71.786 ± 0.007°
• β: 84.056 ± 0.007°
• γ: 73.638 ± 0.007°
• Cell volume: 665.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0995
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2015
• Weighted residual factors for all reflections included in the refinement: 0.209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.67
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No