Information card for entry 4023561

Structure parameters

• Common name: Two intrpenetrating arcs
• Chemical name: Two intrpenetrating arcs
• Formula: C57.56 H61.34 N13.78 O16
• Calculated formula: C56 H59 N13 O16
• Title of publication: Self-Sorting Molecular Clips
• Authors of publication: Soumyadip Ghosh; Anxin Wu; James C. Fettinger; Peter Y. Zavalij; Lyle Isaacs
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 5915 - 5925
• a: 58.514 ± 0.009 Å
• b: 14.196 ± 0.002 Å
• c: 32.059 ± 0.005 Å
• α: 90°
• β: 112.289 ± 0.002°
• γ: 90°
• Cell volume: 24641 ± 7 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• 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: 0.0802
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No