Information card for entry 4135019

Structure parameters

• Formula: C51 H32 Cl2 O4
• Calculated formula: C51 H32 Cl2 O4
• Title of publication: Enantioselective Synthesis of Triple Helicenes by Cross-Cyclotrimerization of a Helicenyl Aryne and Alkynes via Dynamic Kinetic Resolution.
• Authors of publication: Yubuta, Ayaka; Hosokawa, Tomoka; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki; Tsurusaki, Akihiro; Kamikawa, Ken
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 22
• Pages of publication: 10025 - 10033
• a: 13.4699 ± 0.0005 Å
• b: 13.6164 ± 0.0006 Å
• c: 20.1702 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3699.4 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No