Information card for entry 1543748

Structure parameters

• Formula: C31 H52 B2 N2 O4 Te
• Calculated formula: C31 H52 B2 N2 O4 Te
• SMILES: [Te]1C(=C2C(=C1B1OC(C(O1)(C)C)(C)C)CCCC2)[B]1(OC(C(O1)(C)C)(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C
• Title of publication: Probing the nature of peripheral boryl groups within luminescent tellurophenes.
• Authors of publication: Braun, Christina A.; Zomerman, Derek; de Aguiar, Inara; Qi, Yanyu; Delgado, William Torres; Ferguson, Michael J.; McDonald, Robert; de Souza, Gabriel L. C.; He, Gang; Brown, Alex; Rivard, Eric
• Journal of publication: Faraday discussions
• Year of publication: 2017
• Journal volume: 196
• Pages of publication: 255 - 268
• a: 10.3086 ± 0.0002 Å
• b: 15.0795 ± 0.0003 Å
• c: 21.3795 ± 0.0004 Å
• α: 90°
• β: 93.2679 ± 0.0007°
• γ: 90°
• Cell volume: 3318.01 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0266
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No