Information card for entry 7121704

Structure parameters

• Formula: C74 H72 N6 O3
• Calculated formula: C74 H72 N6 O3
• Title of publication: Foldamer-based helicate displaying reversible switching between two distinct conformers.
• Authors of publication: Jeon, Hae-Geun; Lee, Hyun Kyung; Lee, Seungwon; Jeong, Kyu-Sung
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 45
• Pages of publication: 5740 - 5743
• a: 35.034 ± 0.007 Å
• b: 10.393 ± 0.002 Å
• c: 17.979 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6546 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1161
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2256
• Weighted residual factors for all reflections included in the refinement: 0.2451
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No