Information card for entry 4121591

Structure parameters

• Formula: C18 H12 N2 O5 S2
• Calculated formula: C18 H12 N2 O5 S2
• SMILES: s1c(c2ccc(c3scc4OCCOc34)c3nonc23)c2OCCOc2c1
• 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: 21.191 ± 0.004 Å
• b: 15.335 ± 0.003 Å
• c: 5.0155 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1629.9 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No