Information card for entry 4134970

Structure parameters

• Formula: C242 H172 B F20 N10 O22 Pd2
• Calculated formula: C242 H172 B F20 N10 O22 Pd2
• Title of publication: Anisotropic Contraction of a Polyaromatic Capsule and Its Cavity-Induced Compression Effect.
• Authors of publication: Kishida, Natsuki; Matsumoto, Kyosuke; Tanaka, Yuya; Akita, Munetaka; Sakurai, Hidehiro; Yoshizawa, Michito
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 21
• Pages of publication: 9599 - 9603
• a: 16.6921 ± 0.0002 Å
• b: 24.5705 ± 0.0004 Å
• c: 30.887 ± 0.0004 Å
• α: 74.761 ± 0.001°
• β: 85.289 ± 0.001°
• γ: 73.432 ± 0.001°
• Cell volume: 11714.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1638
• Residual factor for significantly intense reflections: 0.1442
• Weighted residual factors for significantly intense reflections: 0.4296
• Weighted residual factors for all reflections included in the refinement: 0.4471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.819
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No