Information card for entry 1545723

Structure parameters

• Formula: C14 H8 S Te
• Calculated formula: C14 H8 S Te
• SMILES: [Te]1c2c3c(sc2c2c1cccc2)cccc3
• Title of publication: Versatile Telluracycle Synthesis via Sequential Electrophilic Telluration of C(sp2)‒Zn and C(sp2)‒H Bonds
• Authors of publication: Wu, Bin; none, Melvina; Wu, Xiangyang; Yeow, Edwin; Yoshikai, Naohiko
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 8.8331 ± 0.0014 Å
• b: 8.9989 ± 0.0016 Å
• c: 14.46 ± 0.002 Å
• α: 90°
• β: 95.546 ± 0.005°
• γ: 90°
• Cell volume: 1144 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0965
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.303
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No