Information card for entry 7102435

Structure parameters

• Formula: C82 H119 N9 O12
• Calculated formula: C82 H119 N9 O12
• Title of publication: Spin labeling monitors weak host-guest interactions.
• Authors of publication: Kröck, Lenz; Shivanyuk, Alexander; Goodin, David B; Rebek, Jr, Julius
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 3
• Pages of publication: 272 - 273
• a: 20.2 ± 0.005 Å
• b: 17.983 ± 0.005 Å
• c: 22.885 ± 0.006 Å
• α: 90°
• β: 105.023 ± 0.006°
• γ: 90°
• Cell volume: 8029 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2656
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.2274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No