Information card for entry 4119577

Structure parameters

• Common name: 4
• Formula: C20 H32 B2 O4 Se
• Calculated formula: C20 H32 B2 O4 Se
• SMILES: [se]1c(c2CCCCc2c1B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
• Title of publication: The Marriage of Metallacycle Transfer Chemistry with Suzuki-Miyaura Cross-Coupling To Give Main Group Element-Containing Conjugated Polymers
• Authors of publication: Gang He; Le Kang; William Torres Delgado; Olena Shynkaruk; Michael J. Ferguson; Robert McDonald; Eric Rivard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 5360 - 5363
• a: 12.6318 ± 0.0007 Å
• b: 12.3449 ± 0.0007 Å
• c: 27.8492 ± 0.0016 Å
• α: 90°
• β: 92.9904 ± 0.0007°
• γ: 90°
• Cell volume: 4336.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No