Information card for entry 7125058

Structure parameters

• Chemical name: (M20L8 octahedral capsule) - calix[4]arene complex
• Formula: C204 H351 N130 O191 Pd20
• Calculated formula: C204 H272 N130 O191 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: 48.457 ± 0.008 Å
• b: 27.761 ± 0.004 Å
• c: 37.941 ± 0.006 Å
• α: 90°
• β: 108.713 ± 0.005°
• γ: 90°
• Cell volume: 48341 ± 13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.2464
• Residual factor for significantly intense reflections: 0.18
• Weighted residual factors for significantly intense reflections: 0.4395
• Weighted residual factors for all reflections included in the refinement: 0.4958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.809
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No