Information card for entry 1572344

Structure parameters

• Chemical name: LAQ-X
• Formula: C46 H69 B F4 N2 O7
• Calculated formula: C46 H69 B F4 N2 O7
• SMILES: F[B](F)(F)[F-].O1CCOCCOCCOCCOCCOCCCCCCCC1.Oc1cc(c2c3[nH+]c([nH]c3ccc2)c2cc(cc(c2)C(C)(C)C)C(C)(C)C)cc(c1)C
• Title of publication: A compact chemically driven [2]catenane rotary motor operated through alternate pumping and discharging.
• Authors of publication: Li, Anquan; Du, Zhenglin; Zhang, Shilong; Xie, Jialin; Li, Xia; Chen, Qing; Tang, Yisong; Chen, Jiawen; Zhu, Kelong
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 36
• Pages of publication: 14721 - 14725
• a: 9.6885 ± 0.0006 Å
• b: 16.4051 ± 0.0011 Å
• c: 29.993 ± 0.002 Å
• α: 90°
• β: 96.342 ± 0.002°
• γ: 90°
• Cell volume: 4737.9 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1372
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2045
• Weighted residual factors for all reflections included in the refinement: 0.2438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No