Information card for entry 7123478

Structure parameters

• Chemical name: AABZ18C6BF4H2O
• 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: 16.699 ± 0.0005 Å
• b: 18.1887 ± 0.0007 Å
• c: 20.4536 ± 0.0006 Å
• α: 85.905 ± 0.003°
• β: 66.15 ± 0.003°
• γ: 79.132 ± 0.003°
• Cell volume: 5579.9 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.1151
• Weighted residual factors for significantly intense reflections: 0.3258
• Weighted residual factors for all reflections included in the refinement: 0.3327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No