Information card for entry 4111296

Structure parameters

• Formula: C60 H66 Cl6 N16 O10
• Calculated formula: C60 H60 Cl6 N16 O10
• Title of publication: Driven Evolution of a Constitutional Dynamic Library of Molecular Helices Toward the Selective Generation of [2 x 2] Gridlike Arrays under the Pressure of Metal Ion Coordination
• Authors of publication: Nicolas Giuseppone; Jean-Louis Schmitt; Jean-Marie Lehn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 16748 - 16763
• a: 14.0332 ± 0.0003 Å
• b: 15.6497 ± 0.0003 Å
• c: 16.0239 ± 0.0004 Å
• α: 87.837 ± 0.005°
• β: 74.861 ± 0.005°
• γ: 75.625 ± 0.005°
• Cell volume: 3289.23 ± 0.17 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.165
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for all reflections: 0.228
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections: 1.285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No