Information card for entry 7700231

Structure parameters

• Formula: C40 H54 B2 N4 O3 Te
• Calculated formula: C40 H54 B2 N4 O3 Te
• Title of publication: Using boryl-substitution and improved Suzuki-Miyaura cross-coupling to access new phosphorescent tellurophenes.
• Authors of publication: Braun, Christina A.; Martinek, Nicole; Zhou, Yuqiao; Ferguson, Michael J.; Rivard, Eric
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 27
• Pages of publication: 10210 - 10219
• a: 15.677 ± 0.006 Å
• b: 13.588 ± 0.003 Å
• c: 18.615 ± 0.0019 Å
• α: 90°
• β: 91.14 ± 0.015°
• γ: 90°
• Cell volume: 3964.6 ± 1.8 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: 0.0217
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No