Information card for entry 7154017

Structure parameters

• Formula: C51 H49 Cl3 N2 O2
• Calculated formula: C51 H49 Cl3 N2 O2
• Title of publication: Chiroptical molecular propellers based on hexakis(phenylethynyl)benzene through the complexation-induced intramolecular transmission of local point chirality.
• Authors of publication: Katoono, Ryo; Kusaka, Keiichi; Kawai, Shunsuke; Tanaka, Yuki; Hanada, Keisuke; Nehira, Tatsuo; Fujiwara, Kenshu; Suzuki, Takanori
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 47
• Pages of publication: 9532 - 9538
• a: 11.1583 ± 0.0018 Å
• b: 28.871 ± 0.005 Å
• c: 14.242 ± 0.003 Å
• α: 90°
• β: 94.651 ± 0.003°
• γ: 90°
• Cell volume: 4573 ± 1.4 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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 significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.3462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.341
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No