Information card for entry 4101789

Structure parameters

• Formula: C136 H115 B4 O18
• Calculated formula: C136 H115 B4 O18
• Title of publication: Guest-Encapsulation Properties of a Self-Assembled Capsule by Dynamic Boronic Ester Bonds
• Authors of publication: Naoki Nishimura; Kenji Yoza; Kenji Kobayashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 777 - 790
• a: 15.453 ± 0.002 Å
• b: 16.161 ± 0.002 Å
• c: 24.311 ± 0.003 Å
• α: 76.646 ± 0.002°
• β: 86.741 ± 0.002°
• γ: 67.404 ± 0.002°
• Cell volume: 5450.3 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1486
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.2146
• Weighted residual factors for all reflections included in the refinement: 0.2622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No