Information card for entry 7118289

Structure parameters

• Formula: C40 H34 Br2 N2
• Calculated formula: C40 H34 Br2 N2
• Title of publication: A biphenyl containing two electron-donating and two electron-accepting moieties: a rigid and small donor-acceptor-donor ladder system.
• Authors of publication: Greulich, Tobias W.; Suzuki, Naoya; Daniliuc, Constantin G.; Fukazawa, Aiko; Yamaguchi, Eriko; Studer, Armido; Yamaguchi, Shigehiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2374 - 2377
• a: 11.0372 ± 0.0006 Å
• b: 12.6734 ± 0.0007 Å
• c: 13.6066 ± 0.0007 Å
• α: 87.925 ± 0.002°
• β: 67.674 ± 0.002°
• γ: 66.578 ± 0.002°
• Cell volume: 1600.69 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No