Information card for entry 4031321

Structure parameters

• Formula: C44 H38 N2 O2
• Calculated formula: C44 H29 N2 O2
• Title of publication: Dynamic Figure Eight Chirality: Multifarious Inversions of a Helical Preference Induced by Complexation.
• Authors of publication: Katoono, Ryo; Tanaka, Yuki; Kusaka, Keiichi; Fujiwara, Kenshu; Suzuki, Takanori
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 15
• Pages of publication: 7613 - 7625
• a: 11.829 ± 0.004 Å
• b: 11.851 ± 0.003 Å
• c: 13.944 ± 0.004 Å
• α: 91.376 ± 0.0007°
• β: 112.221 ± 0.004°
• γ: 106.673 ± 0.004°
• Cell volume: 1714 ± 0.9 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No