Information card for entry 4034790

Structure parameters

• Formula: C58 H62 F8 N2 O8
• Calculated formula: C58 H62 F8 N2 O8
• SMILES: Fc1c2CN(Cc3cc(ccc3)CN(Cc3c(F)c(F)c(COCCOCCOCc(c1F)c(F)c2F)c(F)c3F)C)C.O1Cc2cc(ccc2)COCc2ccc(COCCOCCOCc3ccc(C1)cc3)cc2
• Title of publication: [2]Catenanes Displaying Switchable Gin-Trap-Like Motion.
• Authors of publication: Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Cheng, Richard P.; Chiu, Sheng-Hsien
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 10
• Pages of publication: 5619 - 5628
• a: 12.554 ± 0.0006 Å
• b: 13.1199 ± 0.0007 Å
• c: 16.8258 ± 0.0008 Å
• α: 89.804 ± 0.004°
• β: 72.121 ± 0.004°
• γ: 87.944 ± 0.004°
• Cell volume: 2635.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No