Information card for entry 1507484

Structure parameters

• Formula: C61 H45 S2
• Calculated formula: C61 H45 S2
• Title of publication: Synthesis and properties of novel thiophene-based conjugated homologues: 9,9-diphenylfluorene-capped oligothiophenes.
• Authors of publication: Wong, Ken-Tsung; Wang, Chung-Feng; Chou, Chung Hsien; Su, Yuhlong Oliver; Lee, Gene-Hsiang; Peng, Shie-Ming
• Journal of publication: Organic letters
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 25
• Pages of publication: 4439 - 4442
• a: 11.2629 ± 0.0014 Å
• b: 14.534 ± 0.0018 Å
• c: 15.0164 ± 0.0019 Å
• α: 108.378 ± 0.002°
• β: 92.145 ± 0.003°
• γ: 101.385 ± 0.003°
• Cell volume: 2273.7 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1979
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.2171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No