Information card for entry 7123477

Structure parameters

• Formula: C24 H37 B F4 N3 O6.5
• Calculated formula: C24 H37 B F4 N3 O6.5
• Title of publication: Unprecedented Water-Controlled Rotator‒Stator Conversion of Supramolecular Rotor in Crystals
• Authors of publication: Huang, Rui-Kang; Xiao, Zhi-Feng; Liu, De-Xuan; Zhang, Wei-Xiong; Chen, Xiao-Ming
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.5409 ± 0.0002 Å
• b: 19.0473 ± 0.0004 Å
• c: 18.1701 ± 0.0003 Å
• α: 90°
• β: 101.962 ± 0.002°
• γ: 90°
• Cell volume: 2891.74 ± 0.1 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 260 ± 2 K
• Number of distinct elements: 6
• 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: 0.0643
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.1899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No