Information card for entry 1529378

Structure parameters

• Formula: C87 H75 N4 O4
• Calculated formula: C87 H75 N4 O4
• Title of publication: Controllability of dynamic double helices: quantitative analysis of the inversion of a screw-sense preference upon complexation
• Authors of publication: Katoono, Ryo; Kawai, Shunsuke; Fujiwara, Kenshu; Suzuki, Takanori
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 6592
• a: 11.962 ± 0.007 Å
• b: 15.81 ± 0.009 Å
• c: 19.746 ± 0.01 Å
• α: 97.277 ± 0.006°
• β: 99.848 ± 0.012°
• γ: 100.275 ± 0.013°
• Cell volume: 3572 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.314
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No