Information card for entry 7118461

Structure parameters

• Formula: C77.5 H46 O10.5
• Calculated formula: C77.5 H46 O10.5
• Title of publication: A fluorescent molecular capsule with a flexible polyaromatic shell for the detection of monoterpene compounds in water.
• Authors of publication: Suzuki, Akira; Kondo, Kei; Sei, Yoshihisa; Akita, Munetaka; Yoshizawa, Michito
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 15
• Pages of publication: 3151 - 3154
• a: 17.323 ± 0.003 Å
• b: 22.428 ± 0.004 Å
• c: 15.591 ± 0.003 Å
• α: 90°
• β: 95.051 ± 0.003°
• γ: 90°
• Cell volume: 6033.9 ± 1.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1414
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.2217
• Weighted residual factors for all reflections included in the refinement: 0.2674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No