Information card for entry 7130421

Structure parameters

• Formula: C55 H54 N6
• Calculated formula: C55 H54 N6
• Title of publication: Highly selective molecular sieving of cis- over trans-1,2-dichloroethene isomers
• Authors of publication: liu, xin; Alimi, Lukman; Khashab, Niveen M.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 17.796 ± 0.003 Å
• b: 5.2354 ± 0.0007 Å
• c: 25.302 ± 0.004 Å
• α: 90°
• β: 98.005 ± 0.005°
• γ: 90°
• Cell volume: 2334.4 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1554
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No