Information card for entry 7152723

Structure parameters

• Common name: 1,4-bis(4'-acetyl-(1,1'-biphenyl)-4-yl)buta-1,3-diyne
• Chemical name: 1,4-bis(4'-acetyl-[1,1'-biphenyl]-4-yl)buta-1,3-diyne
• Formula: C32 H22 O2
• Calculated formula: C32 H22 O2
• Title of publication: Site-selective sequential coupling reactions controlled by "Electrochemical Reaction Site Switching": a straightforward approach to 1,4-bis(diaryl)buta-1,3-diynes.
• Authors of publication: Mitsudo, Koichi; Kamimoto, Natsuyo; Murakami, Hiroki; Mandai, Hiroki; Wakamiya, Atsushi; Murata, Yasujiro; Suga, Seiji
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 48
• Pages of publication: 9562 - 9569
• a: 9.271 ± 0.007 Å
• b: 9.707 ± 0.007 Å
• c: 20.928 ± 0.014 Å
• α: 90.57 ± 0.011°
• β: 97.203 ± 0.005°
• γ: 114.198 ± 0.013°
• Cell volume: 1700 ± 2 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No