Information card for entry 7125057

Structure parameters

• Chemical name: M20L8 octahedral capsule
• Formula: C176 H532 N135 O209 Pd20
• Calculated formula: C176 H248 N135 O209 Pd20
• Title of publication: Capsule-bowl conversion triggered by a guest reaction.
• Authors of publication: Wang, Shitao; Sawada, Tomohisa; Fujita, Makoto
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 78
• Pages of publication: 11653 - 11656
• a: 25.125 ± 0.007 Å
• b: 25.841 ± 0.009 Å
• c: 36.446 ± 0.009 Å
• α: 71.625 ± 0.003°
• β: 74.386 ± 0.003°
• γ: 67.204 ± 0.003°
• Cell volume: 20408 ± 10 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1861
• Residual factor for significantly intense reflections: 0.1457
• Weighted residual factors for significantly intense reflections: 0.3654
• Weighted residual factors for all reflections included in the refinement: 0.3887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No