Information card for entry 4506590

Structure parameters

• Chemical name: 2,3,2',3',2''',3''',2'''',3'''',2'''''',3'''''',2''''''',3'''''''-Hexa(ethylenedioxy)-3'',4'''''-(2-ethylhexyl)- 2,2':5',2'':5'',2''':5''',2'''':5'''',2''''':5''''',2'''''':5'''''',2''''''':5'''''''-octithiophene
• Formula: C36 H46 O4 S4
• Calculated formula: C36 H46 O4 S4
• Title of publication: Long-chain 3,4-ethylenedioxythiophene/thiophene oligomers and semiconducting thin films prepared by their electropolymerization.
• Authors of publication: de Silva, K. M. Nalin; Hwang, Euiyong; Serem, Wilson K.; Fronczek, Frank R.; Garno, Jayne C.; Nesterov, Evgueni E.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2012
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 5430 - 5441
• a: 22.433 ± 0.003 Å
• b: 4.9502 ± 0.0005 Å
• c: 16.387 ± 0.002 Å
• α: 90°
• β: 111.351 ± 0.004°
• γ: 90°
• Cell volume: 1694.8 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No