Information card for entry 7118287

Structure parameters

• Formula: C40 H32 Br4 N2
• Calculated formula: C40 H32 Br4 N2
• SMILES: Brc1cc(N(Cc2ccccc2)Cc2ccccc2)cc(Br)c1c1c(Br)cc(N(Cc2ccccc2)Cc2ccccc2)cc1Br
• 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: 18.6729 ± 0.0002 Å
• b: 11.0827 ± 0.0001 Å
• c: 33.857 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7006.58 ± 0.13 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No