Information card for entry 4088730

Structure parameters

• Common name: 4BSe
• Formula: C28 H48 B4 O8 Se
• Calculated formula: C28 H48 B4 O8 Se
• SMILES: [se]1c(c(c(c1B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
• Title of publication: Selective Placement of Bromide and Pinacolboronate Groups about a Tellurophene: New Building Blocks for Optoelectronic Applications
• Authors of publication: Torres Delgado, William; Shahin, Fatemeh; Ferguson, Michael J.; McDonald, Robert; He, Gang; Rivard, Eric
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 12
• Pages of publication: 2140
• a: 10.469 ± 0.0011 Å
• b: 13.8325 ± 0.0014 Å
• c: 11.9952 ± 0.0012 Å
• α: 90°
• β: 100.723 ± 0.0011°
• γ: 90°
• Cell volume: 1706.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No