Information card for entry 7124156

Structure parameters

• Formula: C200 H204 B2 N10 O8
• Calculated formula: C200 H204 B2 N10 O8
• Title of publication: Fluorescent molecular spring that visualizes the extension and contraction motions of a double-stranded helicate bearing terminal pyrene units triggered by release and binding of alkali metal ions
• Authors of publication: Yashima, Eiji; Taura, Daisuke; Shimizu, Kaori; Yokota, Chiaki; Ikeda, Riho; Suzuki, Yoshimasa; Iida, Hiroki; Ousaka, Naoki
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 23.94 ± 0.008 Å
• b: 12.658 ± 0.004 Å
• c: 27.816 ± 0.01 Å
• α: 90°
• β: 101.429 ± 0.008°
• γ: 90°
• Cell volume: 8262 ± 5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.213
• Residual factor for significantly intense reflections: 0.1685
• Weighted residual factors for significantly intense reflections: 0.3102
• Weighted residual factors for all reflections included in the refinement: 0.3334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.263
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No