Information card for entry 7153246

Structure parameters

• Formula: C87 H135 N16 O22.5 S0.5
• Calculated formula: C87 H135 N16 O22.5 S0.5
• Title of publication: Carbamate complexation by urea-based receptors: studies in solution and the solid state.
• Authors of publication: Edwards, Peter R.; Hiscock, Jennifer R.; Gale, Philip A.; Light, Mark E.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 100 - 106
• a: 12.626 ± 0.007 Å
• b: 14.165 ± 0.009 Å
• c: 27.564 ± 0.017 Å
• α: 84.204 ± 0.01°
• β: 77.246 ± 0.008°
• γ: 72.121 ± 0.009°
• Cell volume: 4573 ± 5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0854
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1813
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No