Information card for entry 4034789

Structure parameters

• Formula: C30 H30 F8 N2 O3
• Calculated formula: C30 H30 F8 N2 O3
• SMILES: Fc1c2CN(Cc3cc(ccc3)CN(Cc3c(F)c(F)c(COCCOCCOCc(c1F)c(F)c2F)c(F)c3F)C)C
• 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: 31.1008 ± 0.0007 Å
• b: 15.905 ± 0.0006 Å
• c: 22.8099 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11283.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No