Information card for entry 1504696

Structure parameters

• Formula: C39 H60 Cl6 F2 N10 O6
• Calculated formula: C39 H60 Cl6 F2 N10 O6
• 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: 11.6237 ± 0.0007 Å
• b: 13.4355 ± 0.0008 Å
• c: 15.9209 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2486.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No