Information card for entry 4119104

Structure parameters

• Formula: C32 H40 N2
• Calculated formula: C32 H40 N2
• Title of publication: π-Conjugated Conjoined Double Helicene via a Sequence of Three Oxidative CC- and NN-Homocouplings
• Authors of publication: Shiraishi, Kouichi; Rajca, Andrzej; Pink, Maren; Rajca, Suchada
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 26
• Pages of publication: 9312 - 9313
• a: 40.438 ± 0.006 Å
• b: 6.3214 ± 0.001 Å
• c: 20.7 ± 0.003 Å
• α: 90°
• β: 101.873 ± 0.004°
• γ: 90°
• Cell volume: 5178.2 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• 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: 0.0861
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No