Information card for entry 1512141

Structure parameters

• Formula: C33 H60 O2 Se
• Calculated formula: C33 H60 O2 Se
• SMILES: c1c2CC(COCCCCCCCCCCCC)(COCCCCCCCCCCCC)Cc2c[se]1
• Title of publication: Synthesis of Solution-Processable Poly(cyclopenta[c]selenylvinylene) and Its Charge Transport Properties: Comparative Study with the Thiophene Analogue
• Authors of publication: Bedi, Anjan; Senanayak, Satyaprasad P.; Narayan, K. S.; Zade, Sanjio S.
• Journal of publication: Macromolecules
• Year of publication: 2013
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 5943
• a: 6.8031 ± 0.0007 Å
• b: 8.5452 ± 0.001 Å
• c: 28.068 ± 0.003 Å
• α: 94.379 ± 0.003°
• β: 96.284 ± 0.002°
• γ: 92.234 ± 0.003°
• Cell volume: 1615.3 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1548
• Residual factor for significantly intense reflections: 0.1131
• Weighted residual factors for significantly intense reflections: 0.3242
• Weighted residual factors for all reflections included in the refinement: 0.4162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No