Information card for entry 1504699

Structure parameters

• Formula: C40 H74 N12 O32 P6
• Calculated formula: C40 H73.56 N12 O32 P6
• Title of publication: Cyclophane capsule motifs with side pockets.
• Authors of publication: Kang, Sung Ok; Day, Victor W.; Bowman-James, Kristin
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 13
• Pages of publication: 2677 - 2680
• a: 9.0253 ± 0.0006 Å
• b: 12.043 ± 0.0008 Å
• c: 27.4998 ± 0.0019 Å
• α: 90°
• β: 99.301 ± 0.002°
• γ: 90°
• Cell volume: 2949.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No