Information card for entry 7116751

Structure parameters

• Formula: C20 H21 B O2 Te
• Calculated formula: C20 H21 B O2 Te
• SMILES: [Te]1C(=C(c2c1cccc2)c1ccccc1)B1OC(C(O1)(C)C)(C)C
• Title of publication: Phosphorescence within benzotellurophenes and color tunable tellurophenes under ambient conditions
• Authors of publication: Gang He; Benjamin D. Wiltshire; Paul Choi; Aliaksandr Savin; Shuai Sun; Arash Mohammadpour; Michael J. Ferguson; Robert McDonald; Samira Farsinezhad; Alex Brown; Karthik Shankar; Eric Rivard
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 5444
• a: 8.2167 ± 0.0008 Å
• b: 20.788 ± 0.002 Å
• c: 22.069 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3769.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No