Information card for entry 1505439

Structure parameters

• Formula: C80 H82 F12 N8 O14 P2
• Calculated formula: C80 H82 F12 N8 O14 P2
• Title of publication: Templated synthesis of desymmetrized [2]catenanes with excellent translational selectivity.
• Authors of publication: Liu, Yi; Klivansky, Liana M.; Khan, Saeed I.; Zhang, Xiyun
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 13
• Pages of publication: 2577 - 2580
• a: 23.861 ± 0.004 Å
• b: 13.199 ± 0.002 Å
• c: 26.839 ± 0.005 Å
• α: 90°
• β: 115.663 ± 0.002°
• γ: 90°
• Cell volume: 7619 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1794
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No