Information card for entry 1562681

Structure parameters

• Formula: C222 H202 N9 O28 Pt2
• Calculated formula: C222 H202 N9 O28 Pt2
• Title of publication: Cyclic Monoterpenes Trapped in a Polyaromatic Capsule: Unusual Selectivity, Isomerization, and Volatility Suppression
• Authors of publication: Sumida, Ryuki; Tanaka, Yuya; Niki, Keita; Sei, Yoshihisa; Toyota, Shinji; Yoshizawa, Michito
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 18.7348 ± 0.0005 Å
• b: 21.8196 ± 0.0009 Å
• c: 27.4073 ± 0.0011 Å
• α: 93.167 ± 0.003°
• β: 101.052 ± 0.003°
• γ: 107.422 ± 0.003°
• Cell volume: 10415.3 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.1741
• Residual factor for significantly intense reflections: 0.0917
• Weighted residual factors for significantly intense reflections: 0.2324
• Weighted residual factors for all reflections included in the refinement: 0.2877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No