Information card for entry 7119809

Structure parameters

• Formula: C36 H44 Te
• Calculated formula: C36 H44 Te
• SMILES: [Te]1c2c(ccc3c2ccc(c3)CCCCCCCC)c2c1c1c(cc2)cc(cc1)CCCCCCCC
• Title of publication: Effects of chalcogen atom substitution on the optoelectronic and charge-transport properties in picene-type π-systems.
• Authors of publication: Oyama, Tatsuya; Yang, Yu Seok; Matsuo, Kyohei; Yasuda, Takuma
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 27
• Pages of publication: 3814 - 3817
• a: 22.506 ± 0.009 Å
• b: 8.456 ± 0.003 Å
• c: 15.962 ± 0.007 Å
• α: 90°
• β: 90.729 ± 0.01°
• γ: 90°
• Cell volume: 3037 ± 2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 3
• 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: 0.1393
• Residual factor for significantly intense reflections: 0.1291
• Weighted residual factors for significantly intense reflections: 0.3312
• Weighted residual factors for all reflections included in the refinement: 0.3415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No