Information card for entry 7118290

Structure parameters

• Formula: C46 H39 N2 O P
• Calculated formula: C46 H39 N2 O P
• 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: 10.7866 ± 0.0011 Å
• b: 32.189 ± 0.003 Å
• c: 10.4301 ± 0.001 Å
• α: 90°
• β: 99.194 ± 0.006°
• γ: 90°
• Cell volume: 3574.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2504
• Residual factor for significantly intense reflections: 0.1989
• Weighted residual factors for significantly intense reflections: 0.3847
• Weighted residual factors for all reflections included in the refinement: 0.4087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No