Information card for entry 4126562

Structure parameters

• Formula: C94.33 H48 Cl2
• Calculated formula: C94.3323 H48 Cl1.998
• Title of publication: Synthesis, Structures, and Properties of Hexapole Helicenes: Assembling Six [5]Helicene Substructures into Highly Twisted Aromatic Systems.
• Authors of publication: Hosokawa, Tomoka; Takahashi, Yusuke; Matsushima, Tomoya; Watanabe, Soichiro; Kikkawa, Shoko; Azumaya, Isao; Tsurusaki, Akihiro; Kamikawa, Ken
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 30.5024 ± 0.0001 Å
• b: 30.5024 ± 0.0001 Å
• c: 35.1637 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 28333 ± 0.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.2636
• Weighted residual factors for all reflections included in the refinement: 0.2641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No