Information card for entry 4135404

Structure parameters

• Formula: C40 H34 N2 O6
• Calculated formula: C40 H34 N2 O6
• Title of publication: [<i>n</i>]Helicene Diimides (<i>n</i> = 5, 6, and 7): Through-Bond versus Through-Space Conjugation.
• Authors of publication: Saal, Fridolin; Zhang, Fangyuan; Holzapfel, Marco; Stolte, Matthias; Michail, Evripidis; Moos, Michael; Schmiedel, Alexander; Krause, Ana-Maria; Lambert, Christoph; Würthner, Frank; Ravat, Prince
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 51
• Pages of publication: 21298 - 21303
• a: 24.9274 ± 0.0017 Å
• b: 10.0744 ± 0.0006 Å
• c: 13.9318 ± 0.0008 Å
• α: 90°
• β: 117.911 ± 0.004°
• γ: 90°
• Cell volume: 3091.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0869
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1678
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No