Information card for entry 4121590

Structure parameters

• Formula: C24 H25 N3 O4 S2
• Calculated formula: C24 H25 N3 O4 S2
• SMILES: s1cc2OCCOc2c1c1ccc(c2scc3OCCOc23)c2nn(nc12)CCCCCC
• Title of publication: Unusual doping of donor-acceptor-type conjugated polymers using lewis acids.
• Authors of publication: Poverenov, Elena; Zamoshchik, Natalia; Patra, Asit; Ridelman, Yonatan; Bendikov, Michael
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 13
• Pages of publication: 5138 - 5149
• a: 4.6255 ± 0.0002 Å
• b: 9.9456 ± 0.0002 Å
• c: 24.8078 ± 0.0007 Å
• α: 98.3891 ± 0.0009°
• β: 93.4893 ± 0.0012°
• γ: 98.754 ± 0.003°
• Cell volume: 1111.85 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No